Geometry & MOs

Info

ID:

232663

PubChem CID:

87576662

Reduced:

S2O3H6C8 (1)

Stoich.:

A2B3C6D8 (1)

Weight, g/mol:

1118.355414

ΔHf, kcal/mol:

-82.11

Dipole, Da:

4.31

IP(EA), eV:

-9.21(-1.28)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[2-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-3-yl]propanoic acid;3-[2-[(Z)-[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=CS2)C(=C1)S(=O)(=O)O

DOS

IR

Vibrations