Geometry & MOs

Info

ID:	391069
PubChem CID:	135002595
Reduced:	ClN2O2H19C24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	17.8
Dipole, Da:	6.36
IP(EA), eV:	-9.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-cyano-2-[(3S)-2,5-dioxo-1-prop-2-enylpyrrolidin-3-yl]-2-phenylacetate

Drug info:

PubChemData

Smile

C1CN([C@](C2=C1C=CC(=C2)Cl)(CC3=CC=CC=C3)C#N)C(=O)OC4=CC=CC=C4

DOS

IR

Vibrations