Geometry & MOs

Info

ID:	32544
PubChem CID:	7842958
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	405.139865
ΔH_f, kcal/mol:	-122.76
Dipole, Da:	2.09
IP(EA), eV:	-9.75(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-phenyl-2-phenylsulfanylacetate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)COC(=O)COC1=CC=C(C=C1)C#N

DOS

IR

Vibrations