Geometry & MOs

Info

ID:	240683
PubChem CID:	93617076
Reduced:	SN3O3C8H15 (1)
Stoich.:	AB3C3D8E15 (1)
Weight, g/mol:	283.135448
ΔH_f, kcal/mol:	-87.28
Dipole, Da:	7.43
IP(EA), eV:	-9.86(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-(1-methylpyrazol-4-yl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

Drug info:

PubChemData

Smile

C[C@@H](COC)NS(=O)(=O)C1=CN(N=C1)C

DOS

IR

Vibrations