Geometry & MOs

Info

ID:

181739

PubChem CID:

76786916

Reduced:

SF2O4N8C32H40 (1)

Stoich.:

AB2C4D8E32F40 (1)

Weight, g/mol:

551.18141

ΔHf, kcal/mol:

-145.52

Dipole, Da:

11.77

IP(EA), eV:

 -8.43(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]-3-fluorophenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C(=O)NC2=C(C=CC(=C2)N3CCN(CC3)C)C(=O)CC4C5CN(CCC5NN4)S(=O)(=O)C6=CC(=CC(=C6)F)F

DOS

IR

Vibrations