Geometry & MOs

Info

ID:	191568
PubChem CID:	78164833
Reduced:	ClSO3N4C22H33 (1)
Stoich.:	ABC3D4E22F33 (1)
Weight, g/mol:	448.250812
ΔH_f, kcal/mol:	-117.92
Dipole, Da:	4.94
IP(EA), eV:	-8.54(-0.36)
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-[(2-methylphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1Cl)C(=O)C2CCN(CC2)S(=O)(=O)C3CCC4CNNC4C3

DOS

IR

Vibrations