Geometry & MOs

Info

ID:	191572
PubChem CID:	78164837
Reduced:	SO3N4C23H36 (1)
Stoich.:	AB3C4D23E36 (1)
Weight, g/mol:	449.246061
ΔH_f, kcal/mol:	-118.15
Dipole, Da:	4.48
IP(EA), eV:	-8.5(0.12)
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-(1-pyridin-2-ylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations