Geometry & MOs

Info

ID:	134996
PubChem CID:	51795326
Reduced:	ClNO2C13H17 (2)
Stoich.:	ABC2D13E17 (2)
Weight, g/mol:	435.148032
ΔH_f, kcal/mol:	-166.79
Dipole, Da:	1.36
IP(EA), eV:	-8.37(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-butyl-2-(3-chloro-N-(2-chloroacetyl)anilino)-2-[4-(dimethylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC(=C(C=C1)OC)OC)N(C2=CC(=CC=C2)Cl)C(=O)CCl

DOS

IR

Vibrations