Geometry & MOs

Info

ID:	269535
PubChem CID:	103617899
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-3.43
Dipole, Da:	1.05
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-cyano-2-methylpropanoyl)amino]benzamide

Drug info:

PubChemData

Smile

CC(C)(C#N)C(=O)NC1=CC=CC=C1SC

DOS

IR

Vibrations