Geometry & MOs

Info

ID:

427933

PubChem CID:

135165527

Reduced:

ClFSO2N4H18C20 (1)

Stoich.:

ABCD2E4F18G20 (1)

Weight, g/mol:

432.082303

ΔHf, kcal/mol:

-3.03

Dipole, Da:

9.72

IP(EA), eV:

 -8.19(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-6-[5-chloro-3-[(2R)-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(=C\4/C(=O)C=CC=C4F)/N=C3NS2)Cl)C(=O)C=C

DOS

IR

Vibrations