Geometry & MOs

Info

ID:

17063

PubChem CID:

482994

Reduced:

S2N6O13H28C37 (1)

Stoich.:

A2B6C13D28E37 (1)

Weight, g/mol:

828.115577

ΔHf, kcal/mol:

-328.86

Dipole, Da:

13.62

IP(EA), eV:

 -9.14(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[6-[[6-[[4-(carboxymethyl)phenyl]diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)O)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=C(C=C6)CC(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations