Geometry & MOs

Info

ID:

14635

PubChem CID:

416408

Reduced:

ClS2N7O8H22C29 (1)

Stoich.:

AB2C7D8E22F29 (1)

Weight, g/mol:

695.065981

ΔHf, kcal/mol:

-107.05

Dipole, Da:

13.27

IP(EA), eV:

 -9.26(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-3-[5-methyl-3-oxo-4-[[4-[[4-[(4-sulfophenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-1H-pyrazol-2-yl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=C(C=CC(=C2)S(=O)(=O)O)Cl)N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)O

DOS

IR

Vibrations