Geometry & MOs

Info

ID:	66764
PubChem CID:	46505225
Reduced:	ClO2S3N4H11C17 (1)
Stoich.:	AB2C3D4E11F17 (1)
Weight, g/mol:	402.001196
ΔH_f, kcal/mol:	76.43
Dipole, Da:	5.64
IP(EA), eV:	-8.9(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CSC1=NSC2=NC(=O)/C(=C\C3=CC=C(O3)SC4=CC=C(C=C4)Cl)/C(=N)N21

DOS

IR

Vibrations