Geometry & MOs

Info

ID:	271552
PubChem CID:	103683319
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	274.113984
ΔH_f, kcal/mol:	-83.55
Dipole, Da:	4.14
IP(EA), eV:	-8.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(2-methylsulfanylcyclohexyl)benzamide

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C(=O)NC2CCCCC2SC

DOS

IR

Vibrations