Geometry & MOs

Info

ID:	55949
PubChem CID:	17397704
Reduced:	OSN3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	55.84
Dipole, Da:	4.04
IP(EA), eV:	-8.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1-methylpyrazol-4-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CN1C=CN=C1SCC2=NC=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations