Geometry & MOs

Info

ID:	174086
PubChem CID:	75721797
Reduced:	ClN3O5C27H28 (1)
Stoich.:	AB3C5D27E28 (1)
Weight, g/mol:	521.171749
ΔH_f, kcal/mol:	-106.15
Dipole, Da:	3.5
IP(EA), eV:	-9.25(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-2-hydroxy-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C(=O)NC(C)(C)C)N(C2=CC=CC=C2Cl)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)C

DOS

IR

Vibrations