Geometry & MOs

Info

ID:	38470
PubChem CID:	8114548
Reduced:	SN2O4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	421.134779
ΔH_f, kcal/mol:	-135.94
Dipole, Da:	6.7
IP(EA), eV:	-8.35(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-phenylsulfanylacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CSC2=CC=CC=C2

DOS

IR

Vibrations