Geometry & MOs

Info

ID:

191583

PubChem CID:

78164848

Reduced:

SF3O3N4C24H35 (1)

Stoich.:

AB3C3D4E24F35 (1)

Weight, g/mol:

518.217461

ΔHf, kcal/mol:

-271.7

Dipole, Da:

6.42

IP(EA), eV:

 -8.49(-0.83)

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-(2-hydroxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=CC=C1C(F)(F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3CCC4C(C3)CNN4

DOS

IR

Vibrations