Geometry & MOs

Info

ID:	134821
PubChem CID:	51764442
Reduced:	N3O5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	470.223929
ΔH_f, kcal/mol:	-117.02
Dipole, Da:	3.65
IP(EA), eV:	-9.66(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-2-methyl-N-[(1S)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxo-1-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=CO1)C(=O)NC(C)(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations