Geometry & MOs

Info

ID:	174093
PubChem CID:	75723255
Reduced:	Cl2N2O3C24H30 (1)
Stoich.:	A2B2C3D24E30 (1)
Weight, g/mol:	527.255084
ΔH_f, kcal/mol:	-134.9
Dipole, Da:	3.01
IP(EA), eV:	-9.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[1-cyclohexyl-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)C(C1=CC=C(C=C1)Cl)N(C2=CC=CC=C2Cl)C(=O)CO

DOS

IR

Vibrations