Geometry & MOs

Info

ID:

232778

PubChem CID:

87576977

Reduced:

SN3O7H25C27 (2)

Stoich.:

AB3C7D25E27 (2)

Weight, g/mol:

1070.282643

ΔHf, kcal/mol:

-433.81

Dipole, Da:

11.08

IP(EA), eV:

 -8.38(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S(=O)(=O)NC2=CC\3=C(NC(=O)/C3=C\C4=C(C5=C(N4)CCCC5=O)CCC(=O)O)C=C2.COC1=CC(=CC=C1)S(=O)(=O)NC2=CC\3=C(NC(=O)/C3=C\C4=C(C5=C(N4)CCCC5=O)CCC(=O)O)C=C2

DOS

IR

Vibrations