Geometry & MOs

Info

ID:

191579

PubChem CID:

78164844

Reduced:

SF3O3N4C24H33 (1)

Stoich.:

AB3C3D4E24F33 (1)

Weight, g/mol:

520.213125

ΔHf, kcal/mol:

-262.47

Dipole, Da:

7.71

IP(EA), eV:

 -8.46(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylsulfonyl)-N-ethyl-4-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCN(CC2)S(=O)(=O)C3CCC4C(C3)CNN4)C(=O)N(C1)CC5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations