Geometry & MOs

Info

ID:

427932

PubChem CID:

135165526

Reduced:

ClFSO2N4H20C21 (1)

Stoich.:

ABCD2E4F20G21 (1)

Weight, g/mol:

432.082303

ΔHf, kcal/mol:

-16.32

Dipole, Da:

3.9

IP(EA), eV:

 -9.0(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-6-[5-chloro-3-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1H-[1,2]thiazolo[3,4-b]pyridin-6-ylidene]-5-fluorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=C3C=C(C(=NC3=NS2)C4=C(C=CC=C4F)OC)Cl)C(=O)C=C

DOS

IR

Vibrations