Geometry & MOs

Info

ID:	66794
PubChem CID:	46505279
Reduced:	S2N4O5C24H24 (1)
Stoich.:	A2B4C5D24E24 (1)
Weight, g/mol:	428.043539
ΔH_f, kcal/mol:	-44.07
Dipole, Da:	6.71
IP(EA), eV:	-8.46(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-ethylsulfanyl-5-imino-6-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCSC1=NSC2=NC(=O)/C(=C\C3=CC(=C(C=C3)OCCOC4=CC=CC=C4OC)OC)/C(=N)N21

DOS

IR

Vibrations