Geometry & MOs

Info

ID:	135096
PubChem CID:	51813655
Reduced:	NOC9H16 (2)
Stoich.:	ABC9D16 (2)
Weight, g/mol:	473.234828
ΔH_f, kcal/mol:	-133.41
Dipole, Da:	3.62
IP(EA), eV:	-9.35(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[4-(dimethylamino)phenyl]-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-N-propylbutanamide

Drug info:

PubChemData

Smile

CCCC(=O)N(CCC)[C@H](/C=C/C)C(=O)NC1CCCCC1

DOS

IR

Vibrations