Geometry & MOs

Info

ID:	35325
PubChem CID:	7979693
Reduced:	ClN3O7H14C16 (1)
Stoich.:	AB3C7D14E16 (1)
Weight, g/mol:	362.066949
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	8.9
IP(EA), eV:	-9.56(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations