Geometry & MOs

Info

ID:

444105

PubChem CID:

135261334

Reduced:

FO2N8H31C37 (1)

Stoich.:

AB2C8D31E37 (1)

Weight, g/mol:

513.138322

ΔHf, kcal/mol:

106.0

Dipole, Da:

6.69

IP(EA), eV:

 -8.55(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-fluoro-5-[(2Z)-2-(5-pyridin-3-yl-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene)pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C\5/C6=CC(=NC=C6NN5)C7=CC(=CN=C7)NC(=O)C8=CC=CC=C8)/C=C43)F

DOS

IR

Vibrations