Geometry & MOs

Info

ID:	55968
PubChem CID:	17397949
Reduced:	SN2O3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	340.121178
ΔH_f, kcal/mol:	-79.18
Dipole, Da:	2.3
IP(EA), eV:	-8.46(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-N-[4-(cyanomethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations