Geometry & MOs

Info

ID:	140473
PubChem CID:	52704802
Reduced:	ClO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	443.122354
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	1.97
IP(EA), eV:	-8.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=C(C=C1)NCC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations