Geometry & MOs

Info

ID:

317886

PubChem CID:

126647194

Reduced:

O3N4C24H25 (2)

Stoich.:

A3B4C24D25 (2)

Weight, g/mol:

493.03862

ΔHf, kcal/mol:

-59.49

Dipole, Da:

2.48

IP(EA), eV:

 -8.75(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[2-[4-iodo-3-(4-methylphenyl)phenyl]-2-oxoethyl]pyrrolidine-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C#CC#CC2=CN=C(N2)C3CCCN3C(=O)C(C4=CC=CC=C4)NC(=O)OC)C5=CC=CC=C5)C6=CN=C(N6)C7CCCN7C(=O)[C@H](C(C)C)NC(=O)OC

DOS

IR

Vibrations