Geometry & MOs

Info

ID:	37788
PubChem CID:	8024396
Reduced:	N2O2C18H29 (1)
Stoich.:	A2B2C18D29 (1)
Weight, g/mol:	376.125036
ΔH_f, kcal/mol:	-76.62
Dipole, Da:	3.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754849
Charge, e:	1

Chem-info

IUPAC name:

4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1NC(=O)C[NH+]2C[C@H](O[C@@H](C2)C)C

DOS

IR

Vibrations