Geometry & MOs

Info

ID:	134618
PubChem CID:	51727163
Reduced:	NO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	440.0583
ΔH_f, kcal/mol:	-108.8
Dipole, Da:	3.01
IP(EA), eV:	-8.86(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[(3S)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanedioate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)COC2=CC=C(C=C2)CNC(=O)C[C@@H]3CCC=C3

DOS

IR

Vibrations