Geometry & MOs

Info

ID:	35370
PubChem CID:	7979776
Reduced:	ClN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	334.072035
ΔH_f, kcal/mol:	-56.01
Dipole, Da:	2.65
IP(EA), eV:	-8.9(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chloro-2-nitrophenoxy)-N-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations