Geometry & MOs

Info

ID:	232851
PubChem CID:	87577234
Reduced:	O2S2C8H9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	432.223535
ΔH_f, kcal/mol:	-129.43
Dipole, Da:	0.16
IP(EA), eV:	-8.68(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[ethyl(naphthalen-1-yl)amino]cyclohexyl]-N-(2-sulfanylethyl)benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=CC=C(C=C1)SSC2=CC=C(C=C2)CS(=O)(=O)C

DOS

IR

Vibrations