Geometry & MOs

Info

ID:	191571
PubChem CID:	78164836
Reduced:	SF3O3N4C21H29 (1)
Stoich.:	AB3C3D4E21F29 (1)
Weight, g/mol:	448.250812
ΔH_f, kcal/mol:	-237.1
Dipole, Da:	5.91
IP(EA), eV:	-8.56(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1C(F)(F)F)C(=O)C2CN(C2)S(=O)(=O)C3CCC4C(C3)CNN4

DOS

IR

Vibrations