Geometry & MOs

Info

ID:	60388
PubChem CID:	26683981
Reduced:	OSN3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	68.04
Dipole, Da:	3.52
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxycarbonylphenyl) (3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CS1)NCC2=CC=C(C=C2)OCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations