Geometry & MOs

Info

ID:	191566
PubChem CID:	78164831
Reduced:	SO3N5C21H33 (1)
Stoich.:	AB3C5D21E33 (1)
Weight, g/mol:	502.222547
ΔH_f, kcal/mol:	-97.47
Dipole, Da:	4.7
IP(EA), eV:	-8.58(-0.41)
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-5-ylsulfonyl)-N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations