Geometry & MOs

Info

ID:	35469
PubChem CID:	7979915
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	384.027977
ΔH_f, kcal/mol:	-77.99
Dipole, Da:	2.19
IP(EA), eV:	-8.78(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCOC3=CC=CC=C3C

DOS

IR

Vibrations