Geometry & MOs

Info

ID:	134824
PubChem CID:	51764997
Reduced:	ClN3O5C21H32 (1)
Stoich.:	AB3C5D21E32 (1)
Weight, g/mol:	448.293722
ΔH_f, kcal/mol:	-153.57
Dipole, Da:	7.87
IP(EA), eV:	-9.83(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-[hexyl-(2-methoxyacetyl)amino]acetamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)NCCCC)C(=O)COC

DOS

IR

Vibrations