Geometry & MOs

Info

ID:	172095
PubChem CID:	75466151
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	837.6819
ΔH_f, kcal/mol:	-29.3
Dipole, Da:	4.25
IP(EA), eV:	-8.0(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-2-(4,5,6,7-tetraiodo-1,3-dioxoisoindol-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2C)CC(=O)N

DOS

IR

Vibrations