Geometry & MOs

Info

ID:	135104
PubChem CID:	51814845
Reduced:	SN2O4C26H36 (1)
Stoich.:	AB2C4D26E36 (1)
Weight, g/mol:	521.198442
ΔH_f, kcal/mol:	-169.0
Dipole, Da:	10.03
IP(EA), eV:	-9.51(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1R)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxo-1-phenylethyl]-propylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(CCC)[C@@H](C1=CC=C(C=C1)C)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations