Geometry & MOs

Info

ID:	173981
PubChem CID:	75707763
Reduced:	ClN3O4C27H40 (1)
Stoich.:	AB3C4D27E40 (1)
Weight, g/mol:	468.298808
ΔH_f, kcal/mol:	-136.8
Dipole, Da:	6.44
IP(EA), eV:	-9.34(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[hexyl-[2-(2-methylphenyl)acetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)NC2CCCCC2)C(=O)C3CCCCC3

DOS

IR

Vibrations