Geometry & MOs

Info

ID:	191582
PubChem CID:	78164847
Reduced:	SO3N4C21H32 (1)
Stoich.:	AB3C4D21E32 (1)
Weight, g/mol:	516.238197
ΔH_f, kcal/mol:	-106.41
Dipole, Da:	5.07
IP(EA), eV:	-8.51(0.0)
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-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3CCC4C(C3)CNN4

DOS

IR

Vibrations