Geometry & MOs

Info

ID:

444124

PubChem CID:

135261410

Reduced:

FSO3N9H28C30 (1)

Stoich.:

ABC3D9E28F30 (1)

Weight, g/mol:

412.090644

ΔHf, kcal/mol:

32.05

Dipole, Da:

4.58

IP(EA), eV:

 -8.48(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(5-fluorothiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-pyridin-3-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)CNS(=O)(=O)C)F)/NN3

DOS

IR

Vibrations