Geometry & MOs

Info

ID:

62985

PubChem CID:

26737897

Reduced:

FO3N5H26C27 (1)

Stoich.:

AB3C5D26E27 (1)

Weight, g/mol:

467.077362

ΔHf, kcal/mol:

-18.17

Dipole, Da:

5.58

IP(EA), eV:

 -8.46(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)/C=C(\C#N)/C(=O)N4CCN(CC4)C5=CC=CC=C5F

DOS

IR

Vibrations