Geometry & MOs

Info

ID:	199201
PubChem CID:	79214102
Reduced:	OSN2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	263.098
ΔH_f, kcal/mol:	44.86
Dipole, Da:	2.74
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-N-(4-oxocyclohexyl)benzamide

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C#CCN

DOS

IR

Vibrations