Table 2.

Mulliken atomic charge of compound 1.

Atom	Charge	Atom	Charge	Atom	Charge	Atom	Charge	Atom	Charge
C1	0.725301	C10	−0.903603	H19	0.119749	H28	0.129170	H37	0.153549
C2	0.593998	C11	−0.776762	C20	−0.103310	H29	0.127625	H38	0.111691
C3	−0.554817	N12	0.295406	C21	−0.223107	H30	0.119679	H39	0.150903
C4	0.127749	N13	−0.279076	C22	0.851136	H31	0.180698	C40	−0.141155
C5	0.245151	S14	0.077841	C23	−0.397223	H32	0.128447	H41	0.129807
C6	−1.243883	S15	0.598803	C24	−0.368889	H33	0.130925	H42	0.148212
H7	0.167735	H16	0.305065	C25	−0.114700	O34	−0.360772	H43	0.155347
H8	0.123178	H17	0.247872	H26	0.127846	C35	−0.200583	O44	−0.359263
C9	−0.068235	H18	0.219145	H27	0.118413	C36	−0.128638	O45	−0.386424