Geometry & MOs

Info

ID:

437941

PubChem CID:

135227336

Reduced:

N5F7H14C24 (1)

Stoich.:

A5B7C14D24 (1)

Weight, g/mol:

469.068352

ΔHf, kcal/mol:

-184.82

Dipole, Da:

3.55

IP(EA), eV:

 -9.27(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-cyclopropyl-6-[4-fluoro-3-(trifluoro-lambda4-sulfanyl)phenyl]-7H-imidazo[1,2-a]pyrazin-3-ylidene]-3,5-difluorocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CC1C2=C(N3C=C(N=CC3=N2)C4=CC(=C(C=C4)F)C(C(F)(F)F)(F)F)C5=C(C6=C(C=C5)NN=C6)F

DOS

IR

Vibrations