Geometry & MOs

Info

ID:	342243
PubChem CID:	127265020
Reduced:	N5H19C24 (1)
Stoich.:	A5B19C24 (1)
Weight, g/mol:	315.067762
ΔH_f, kcal/mol:	182.39
Dipole, Da:	5.08
IP(EA), eV:	-8.45(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NN/C=C\4/C=C5C=CC=CC5=N4

DOS

IR

Vibrations