Geometry & MOs

Info

ID:

148275

PubChem CID:

53787937

Reduced:

FO3N6C25H29 (1)

Stoich.:

AB3C6D25E29 (1)

Weight, g/mol:

770.110098

ΔHf, kcal/mol:

-83.69

Dipole, Da:

5.75

IP(EA), eV:

 -9.22(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[6-[(4-methoxycarbonylphenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CCCNC(=O)C1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NC4CC4)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations