Geometry & MOs

Info

ID:

376605

PubChem CID:

134222626

Reduced:

FO4N8H23C24 (1)

Stoich.:

AB4C8D23E24 (1)

Weight, g/mol:

500.209593

ΔHf, kcal/mol:

-86.95

Dipole, Da:

11.16

IP(EA), eV:

 -9.01(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[[(4-fluoropyrrolidin-3-yl)amino]-hydroxymethyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1C(NC2=CC=CNC2=O)O)C(=O)CN3C4=C(C=C(C=C4)C5=CN=NC=C5)C(=N3)C(=O)N)F

DOS

IR

Vibrations