Geometry & MOs

Info

ID:

17066

PubChem CID:

483003

Reduced:

I2S2N6O13H26C37 (1)

Stoich.:

A2B2C6D13E26F37 (1)

Weight, g/mol:

1079.90887

ΔHf, kcal/mol:

-273.64

Dipole, Da:

17.08

IP(EA), eV:

 -9.12(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-7-[[5-hydroxy-6-[(2-iodo-4-methoxycarbonylphenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-[(2-iodo-4-methoxycarbonylphenyl)diazenyl]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=C(C=C(C=C6)C(=O)OC)I)S(=O)(=O)O)S(=O)(=O)O)I

DOS

IR

Vibrations