Geometry & MOs

Info

ID:

181607

PubChem CID:

76765870

Reduced:

O3C31H42 (1)

Stoich.:

A3B31C42 (1)

Weight, g/mol:

1096.003123

ΔHf, kcal/mol:

-132.62

Dipole, Da:

6.88

IP(EA), eV:

 -8.49(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

heptasodium;4-[[3-[[3,5-bis(phenylcarbamoyl)phenyl]carbamoylamino]-5-[(2-methyl-4-sulfonatophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonate

Drug info:

PubChemData

Smile

CCC(=O)C1(CCC2(CCC3(C4=CC=C5C(=C(C(=O)C=C5C4(CCC3(C2C1)C)C)O)C)C)C)C

DOS

IR

Vibrations