Geometry & MOs

Info

ID:	60393
PubChem CID:	26684009
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	250.041213
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	3.11
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-(1,3-benzodioxol-5-yl)-5-methyl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C(=S)N1)[C@H](C)C2=CC=CC=C2

DOS

IR

Vibrations