Geometry & MOs

Info

ID:	38694
PubChem CID:	8137761
Reduced:	SN4O4C15H18 (1)
Stoich.:	AB4C4D15E18 (1)
Weight, g/mol:	417.139865
ΔH_f, kcal/mol:	-84.37
Dipole, Da:	8.79
IP(EA), eV:	-9.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate

Drug info:

PubChemData

Smile

CN(CC(=O)NCC(=O)NC1CC1)C2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations