Geometry & MOs

Info

ID:	137488
PubChem CID:	52213870
Reduced:	NOH5C6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	328.088164
ΔH_f, kcal/mol:	-38.87
Dipole, Da:	4.46
IP(EA), eV:	-9.4(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-3-(methylsulfonylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NCC3=CC(=CC=C3)C#N

DOS

IR

Vibrations