Geometry & MOs

Info

ID:	391067
PubChem CID:	135002589
Reduced:	N3O6C18H29 (1)
Stoich.:	A3B6C18D29 (1)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	-251.55
Dipole, Da:	6.48
IP(EA), eV:	-9.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-cyano-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC[C@@H](/C=C(\C#N)/C(=O)OC)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations