Geometry & MOs

Info

ID:

10662

PubChem CID:

106262

Reduced:

S3N6O11H26C31 (1)

Stoich.:

A3B6C11D26E31 (1)

Weight, g/mol:

754.082169

ΔHf, kcal/mol:

-248.31

Dipole, Da:

12.37

IP(EA), eV:

 -9.02(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O)OC)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations