Geometry & MOs

Info

ID:	191581
PubChem CID:	78164846
Reduced:	ClSO3N4C22H33 (1)
Stoich.:	ABC3D4E22F33 (1)
Weight, g/mol:	420.219512
ΔH_f, kcal/mol:	-114.27
Dipole, Da:	5.7
IP(EA), eV:	-8.48(-0.4)
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-(1-phenylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1Cl)C(=O)C2CCN(CC2)S(=O)(=O)C3CCC4C(C3)CNN4

DOS

IR

Vibrations