Geometry & MOs

Info

ID:	191578
PubChem CID:	78164843
Reduced:	SF3O3N4C24H27 (1)
Stoich.:	AB3C3D4E24F27 (1)
Weight, g/mol:	514.222547
ΔH_f, kcal/mol:	-217.37
Dipole, Da:	5.64
IP(EA), eV:	-9.42(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylsulfonyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-1-one

Drug info:

PubChemData

Smile

CCN(C(C)C1=CC=CC=C1C(F)(F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NN=C4

DOS

IR

Vibrations