Geometry & MOs

Info

ID:

376545

PubChem CID:

134222563

Reduced:

FSO4N9H22C24 (1)

Stoich.:

ABC4D9E22F24 (1)

Weight, g/mol:

547.184026

ΔHf, kcal/mol:

-56.62

Dipole, Da:

9.03

IP(EA), eV:

 -9.17(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[hydroxy-[(6-oxo-3,7-dihydropurin-2-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1C(NC2=NC3=C(S2)C(=O)NC3)O)C(=O)CN4C5=C(C=C(C=C5)C6=CN=NC=C6)C(=N4)C(=O)N)F

DOS

IR

Vibrations