Geometry & MOs

Info

ID:

232615

PubChem CID:

87576523

Reduced:

ClSO4N6H21C22 (1)

Stoich.:

ABC4D6E21F22 (1)

Weight, g/mol:

1642.554948

ΔHf, kcal/mol:

-17.56

Dipole, Da:

11.02

IP(EA), eV:

 -9.28(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

3-[4-acetyl-2-[(Z)-[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-1H-pyrrol-3-yl]-N-[2-(diethylamino)ethyl]propanamide;3-[4-acetyl-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-methyl-1H-pyrrol-3-yl]-N-[2-(diethylamino)ethyl]propanamide;3-[2-[(Z)-[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate

Drug info:

PubChemData

Smile

CC(=O)NN1N=C2C=CC(=CC2=N1)C3=CC(=C(N=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)O

DOS

IR

Vibrations