Geometry & MOs

Info

ID:	367696
PubChem CID:	127325447
Reduced:	NSO4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	382.138485
ΔH_f, kcal/mol:	-170.21
Dipole, Da:	7.86
IP(EA), eV:	-9.52(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethylsulfanyl)-N-(1,1-dioxothian-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CC2C3=CC=CC=C3CCO2

DOS

IR

Vibrations