Geometry & MOs

Info

ID:

227222

PubChem CID:

87560696

Reduced:

OC3F3H4 (2)

Stoich.:

AB3C3D4 (2)

Weight, g/mol:

1349.961862

ΔHf, kcal/mol:

-410.0

Dipole, Da:

5.11

IP(EA), eV:

-11.08(0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3Z)-5-[[4-chloro-6-[4-[[4-chloro-6-[[(7Z)-8-oxo-3,6-disulfo-7-[(2-sulfophenyl)hydrazinylidene]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]-methylamino]anilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid

Drug info:

PubChemData

Smile

CCOCOC(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations