Geometry & MOs

Info

ID:	38125
PubChem CID:	8027204
Reduced:	OSCl2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	322.129062
ΔH_f, kcal/mol:	-43.62
Dipole, Da:	2.88
IP(EA), eV:	-9.67(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S,3R)-1-ethyl-5-oxo-2-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(S1)CCl)CCl

DOS

IR

Vibrations