Geometry & MOs

Info

ID:	140472
PubChem CID:	52704801
Reduced:	ClO3N4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	435.171355
ΔH_f, kcal/mol:	-119.65
Dipole, Da:	8.14
IP(EA), eV:	-9.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-methylpropyl)-4-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CNC2=CC(=C(C=C2)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations