Geometry & MOs

Info

ID:

448169

PubChem CID:

135288949

Reduced:

SN2O6C52H76 (1)

Stoich.:

AB2C6D52E76 (1)

Weight, g/mol:

562.260486

ΔHf, kcal/mol:

-304.48

Dipole, Da:

12.45

IP(EA), eV:

 -9.41(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC/C=C/C1C(=O)N(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)C3=CC=CC(=C3)N4C(=O)C(CC4=O)/C=C/CCCCCCCCCCCCCC

DOS

IR

Vibrations