Geometry & MOs

Info

ID:	135103
PubChem CID:	51814658
Reduced:	NOC11H18 (2)
Stoich.:	ABC11D18 (2)
Weight, g/mol:	472.239579
ΔH_f, kcal/mol:	-121.73
Dipole, Da:	5.14
IP(EA), eV:	-9.37(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-methylphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-N-propylhexanamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(CCC)[C@@H](C1=CC=CC=C1C)C(=O)NCCCC

DOS

IR

Vibrations