Geometry & MOs

Info

ID:

191574

PubChem CID:

78164839

Reduced:

SF3O3N4C23H33 (1)

Stoich.:

AB3C3D4E23F33 (1)

Weight, g/mol:

500.206897

ΔHf, kcal/mol:

-270.29

Dipole, Da:

5.41

IP(EA), eV:

 -8.58(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylsulfonyl)-N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)C(F)(F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3CCC4CNNC4C3

DOS

IR

Vibrations