Geometry & MOs

Info

ID:

298441

PubChem CID:

117649505

Reduced:

N2S2O7C47H54 (1)

Stoich.:

A2B2C7D47E54 (1)

Weight, g/mol:

926.188274

ΔHf, kcal/mol:

-204.07

Dipole, Da:

14.27

IP(EA), eV:

 -8.31(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2,6-di(propan-2-yl)-4-sulfoanilino]-3-[2,6-di(propan-2-yl)-4-sulfophenyl]imino-9-(2-sulfophenyl)xanthene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)NC2=CC3=C(C=C2)C(=C4C=C(C(=NC5=C(C=CC=C5C(C)(C)C)C(C)(C)C)C=C4O3)S(=O)(=O)O)C6=CC=CC=C6S(=O)(=O)O

DOS

IR

Vibrations