Geometry & MOs

Info

ID:	178054
PubChem CID:	76270345
Reduced:	N3O7H21C24 (1)
Stoich.:	A3B7C21D24 (1)
Weight, g/mol:	390.098249
ΔH_f, kcal/mol:	-136.46
Dipole, Da:	5.4
IP(EA), eV:	-8.95(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations