Geometry & MOs

Info

ID:	32542
PubChem CID:	7842916
Reduced:	NO3H7C9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	405.139865
ΔH_f, kcal/mol:	-79.2
Dipole, Da:	4.36
IP(EA), eV:	-9.6(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)COC(=O)COC2=CC=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations