Geometry & MOs

Info

ID:

376114

PubChem CID:

134222117

Reduced:

ClSN2O5H25C27 (1)

Stoich.:

ABC2D5E25F27 (1)

Weight, g/mol:

584.14313

ΔHf, kcal/mol:

-124.77

Dipole, Da:

3.08

IP(EA), eV:

 -9.04(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-4-fluoro-2-[2-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)acetyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CC(=O)N=C(N)SCCC2=CC=C(C=C2)OCC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations