Geometry & MOs

Info

ID:

232797

PubChem CID:

87577059

Reduced:

N6C17H20 (1)

Stoich.:

A6B17C20 (1)

Weight, g/mol:

1202.174776

ΔHf, kcal/mol:

93.99

Dipole, Da:

2.34

IP(EA), eV:

-8.33(-0.96)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[2-[[5-[(2,6-dichlorophenyl)methylsulfonyl]-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-[(2,6-dichlorophenyl)methylsulfonyl]-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

CCC1=CN=C(N=C1)N2CCC(CC2)C3=C4C=NC=CN4C=N3

DOS

IR

Vibrations