Geometry & MOs

Info

ID:

232560

PubChem CID:

87576421

Reduced:

O3N4C29H32 (1)

Stoich.:

A3B4C29D32 (1)

Weight, g/mol:

541.111913

ΔHf, kcal/mol:

-53.34

Dipole, Da:

3.87

IP(EA), eV:

 -8.95(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[(E)-[5-[(3,5-difluorophenyl)sulfonylamino]-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CN([C@H]([C@H]1N2C3=CC=CC=C3NC2=O)CCCN(CC4=CC=CC=C4)CC5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations