Geometry & MOs

Info

ID:

376484

PubChem CID:

134222499

Reduced:

FO4N9C24H24 (1)

Stoich.:

AB4C9D24E24 (1)

Weight, g/mol:

612.235728

ΔHf, kcal/mol:

-57.3

Dipole, Da:

6.01

IP(EA), eV:

 -9.25(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[(3-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-5-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)/C(=C\N=C)/NC(=O)C1CC(CN1C(=O)CN2C3=C(C=C(C=C3)C4=CN=NC=C4)C(=N2)C(=O)N)F

DOS

IR

Vibrations