Geometry & MOs

Info

ID:

343263

PubChem CID:

127266436

Reduced:

ClFSN3O3H15C19 (1)

Stoich.:

ABCD3E3F15G19 (1)

Weight, g/mol:

419.050668

ΔHf, kcal/mol:

-50.22

Dipole, Da:

5.38

IP(EA), eV:

 -8.64(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C/C(=C/C(=C/2\NN=C(S2)C(=O)NC3=CC=C(C=C3)F)/Cl)/C=CC1=O

DOS

IR

Vibrations