Geometry & MOs

Info

ID:	66796
PubChem CID:	46505281
Reduced:	S2N4O5C24H24 (1)
Stoich.:	A2B4C5D24E24 (1)
Weight, g/mol:	416.016846
ΔH_f, kcal/mol:	-50.54
Dipole, Da:	4.03
IP(EA), eV:	-8.67(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-ethylsulfanyl-5-imino-[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(=C4)OC)OC)/C(=N)N21

DOS

IR

Vibrations