Geometry & MOs

Info

ID:	29964
PubChem CID:	838596
Reduced:	SN3O4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	5.87
IP(EA), eV:	-9.3(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=NNC2=NC(=O)[C@H](S2)CC(=O)O)C

DOS

IR

Vibrations