Geometry & MOs

Info

ID:	317887
PubChem CID:	126647195
Reduced:	INO5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	493.03862
ΔH_f, kcal/mol:	-162.2
Dipole, Da:	3.64
IP(EA), eV:	-9.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)C[C@@]3(CCCN3C(=O)O)C(=O)O)I

DOS

IR

Vibrations