Geometry & MOs

Info

ID:

308726

PubChem CID:

126522422

Reduced:

FN6H21C24 (1)

Stoich.:

AB6C21D24 (1)

Weight, g/mol:

581.095137

ΔHf, kcal/mol:

123.48

Dipole, Da:

3.95

IP(EA), eV:

 -8.72(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-[2,3-bis(methylsulfonyl)imidazol-4-yl]-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1CNCCC1C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC(=CC=C6)F)/NN3

DOS

IR

Vibrations