Geometry & MOs

Info

ID:	171379
PubChem CID:	75369365
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	315.067762
ΔH_f, kcal/mol:	-127.74
Dipole, Da:	5.13
IP(EA), eV:	-8.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(furan-2-ylmethyl)-5-[(3-hydroxy-6-methylpyridin-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(C2=CC=CC=C2)C(=O)NCCS(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations