Geometry & MOs

Info

ID:	35484
PubChem CID:	7979934
Reduced:	ClN2O4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	387.97844
ΔH_f, kcal/mol:	-25.13
Dipole, Da:	2.61
IP(EA), eV:	-8.98(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations