Geometry & MOs

Info

ID:	182469
PubChem CID:	76891265
Reduced:	SN3O5C9H17 (1)
Stoich.:	AB3C5D9E17 (1)
Weight, g/mol:	284.130697
ΔH_f, kcal/mol:	-233.47
Dipole, Da:	4.77
IP(EA), eV:	-10.48(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)-5-methyl-1H-pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1C(CC(=O)NC1O)C(=O)NCCCS(=O)(=O)N

DOS

IR

Vibrations