Geometry & MOs

Info

ID:

309046

PubChem CID:

126535416

Reduced:

SN8H14C20 (1)

Stoich.:

AB8C14D20 (1)

Weight, g/mol:

613.227137

ΔHf, kcal/mol:

249.9

Dipole, Da:

10.11

IP(EA), eV:

 -8.4(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(2E)-2-[5-[5-(ethylaminomethylsulfonyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]indol-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CSC=C6

DOS

IR

Vibrations