Geometry & MOs

Info

ID:	35324
PubChem CID:	7979689
Reduced:	ClN3O5H16C17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	395.052028
ΔH_f, kcal/mol:	-93.94
Dipole, Da:	11.68
IP(EA), eV:	-8.71(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations