Geometry & MOs

Info

ID:	278230
PubChem CID:	103834224
Reduced:	NSO5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	319.054815
ΔH_f, kcal/mol:	-190.07
Dipole, Da:	5.97
IP(EA), eV:	-9.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylsulfonylethanesulfonamide

Drug info:

PubChemData

Smile

COC(=O)CS(=O)(=O)N[C@@H]1[C@@H](CC2=CC=CC=C12)O

DOS

IR

Vibrations