Geometry & MOs

Info

ID:	191573
PubChem CID:	78164838
Reduced:	SO3N5C22H35 (1)
Stoich.:	AB3C5D22E35 (1)
Weight, g/mol:	502.222547
ΔH_f, kcal/mol:	-97.44
Dipole, Da:	4.0
IP(EA), eV:	-8.47(-0.42)
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-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C(C)C1=CC=CC=N1)C(=O)C2CCN(CC2)S(=O)(=O)C3CCC4CNNC4C3

DOS

IR

Vibrations