Geometry & MOs

Info

ID:

11349

PubChem CID:

114306

Reduced:

FS3N9O10H22C27 (1)

Stoich.:

AB3C9D10E22F27 (1)

Weight, g/mol:

747.06358

ΔHf, kcal/mol:

-273.1

Dipole, Da:

8.9

IP(EA), eV:

 -9.43(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(carbamoylamino)-4-[[4-fluoro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)F

DOS

IR

Vibrations