Geometry & MOs

Info

ID:	57387
PubChem CID:	22395811
Reduced:	NO2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	632.0478
ΔH_f, kcal/mol:	-28.61
Dipole, Da:	4.62
IP(EA), eV:	-8.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-benzoylphenyl)-2-[[1-(4-iodophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC3=CC=CC=C3C=C21)(C(=O)O)N

DOS

IR

Vibrations