Geometry & MOs

Info

ID:

376225

PubChem CID:

134222235

Reduced:

ClO3F5N5H25C34 (1)

Stoich.:

AB3C5D5E25F34 (1)

Weight, g/mol:

598.24523

ΔHf, kcal/mol:

-249.82

Dipole, Da:

12.16

IP(EA), eV:

 -9.19(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-[[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=C(N=C3)C(F)(F)F)CC(=O)N4CC(C[C@H]4C(=O)NC5=CC=CC(=C5F)C6=CC=CC=C6Cl)F

DOS

IR

Vibrations