Geometry & MOs

Info

ID:	280639
PubChem CID:	103850431
Reduced:	NO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	280.088164
ΔH_f, kcal/mol:	-185.97
Dipole, Da:	0.65
IP(EA), eV:	-9.44(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCCCN1C(=O)[C@H]2CCCO2

DOS

IR

Vibrations