Geometry & MOs

Info

ID:	39780
PubChem CID:	8142259
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	362.126657
ΔH_f, kcal/mol:	-17.14
Dipole, Da:	2.27
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)CC3=CC=CC=C3OC

DOS

IR

Vibrations