Geometry & MOs

Info

ID:

308737

PubChem CID:

126522433

Reduced:

ON9H29C31 (1)

Stoich.:

AB9C29D31 (1)

Weight, g/mol:

557.040994

ΔHf, kcal/mol:

172.95

Dipole, Da:

6.33

IP(EA), eV:

 -8.31(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)/C=C23

DOS

IR

Vibrations