Geometry & MOs

Info

ID:

11733

PubChem CID:

120017

Reduced:

S4N6O15H28C35 (1)

Stoich.:

A4B6C15D28E35 (1)

Weight, g/mol:

900.049549

ΔHf, kcal/mol:

-383.84

Dipole, Da:

8.04

IP(EA), eV:

 -9.0(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]carbamoylamino]-2-methoxyphenyl]diazenyl]naphthalene-1,5-disulfonic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O)OC)N=NC5=CC6=C(C=CC=C6S(=O)(=O)O)C(=C5)S(=O)(=O)O

DOS

IR

Vibrations