Geometry & MOs

Info

ID:

226064

PubChem CID:

87322623

Reduced:

O2Cl3F3N4H12C24 (1)

Stoich.:

A2B3C3D4E12F24 (1)

Weight, g/mol:

315.100777

ΔHf, kcal/mol:

-75.66

Dipole, Da:

6.38

IP(EA), eV:

 -9.74(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-6-[(4Z)-6-methylidene-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydrobenzotriazol-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)CN2C3=C(C=C(C=C3)Cl)C(=C2C(F)(F)F)C(=O)C4=NC(=NO4)C5=CC=NC=C5

DOS

IR

Vibrations