Geometry & MOs

Info

ID:

343262

PubChem CID:

127266435

Reduced:

ClNO6H24C25 (1)

Stoich.:

ABC6D24E25 (1)

Weight, g/mol:

419.050668

ΔHf, kcal/mol:

-20.02

Dipole, Da:

19.38

IP(EA), eV:

 -9.59(-2.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(2E)-1-chloro-2-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-N-(4-fluorophenyl)-3H-1,3,4-thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=CC2=NC3=CC=CC(=C3C)C)C4=CC=C(C=C4)OC.OCl(=O)(=O)=O

DOS

IR

Vibrations