Geometry & MOs

Info

ID:	174095
PubChem CID:	75723638
Reduced:	ClN3O4C28H38 (1)
Stoich.:	AB3C4D28E38 (1)
Weight, g/mol:	459.192484
ΔH_f, kcal/mol:	-105.81
Dipole, Da:	9.32
IP(EA), eV:	-9.76(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(butylamino)-1-oxoheptan-2-yl]-N-(2-chlorophenyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCC(C(=O)NC(C)(C)CC(C)(C)C)N(C1=CC=CC=C1Cl)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations