Geometry & MOs

Info

ID:	156253
PubChem CID:	56369833
Reduced:	ClO2N5H16C18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	477.09132
ΔH_f, kcal/mol:	-1.44
Dipole, Da:	3.73
IP(EA), eV:	-8.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclohexylamino)anilino]-2-oxoethyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations