Geometry & MOs

Info

ID:	338684
PubChem CID:	127259695
Reduced:	SO3N4H28C30 (1)
Stoich.:	AB3C4D28E30 (1)
Weight, g/mol:	250.110613
ΔH_f, kcal/mol:	-16.95
Dipole, Da:	6.7
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-cyanoethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)S(=O)(=O)NC(=O)C5=CC=CC=C5)N=C(C=C2C)C

DOS

IR

Vibrations