Geometry & MOs

Info

ID:	66810
PubChem CID:	46505305
Reduced:	ClOS2N4H11C14 (1)
Stoich.:	ABC2D4E11F14 (1)
Weight, g/mol:	320.040168
ΔH_f, kcal/mol:	72.29
Dipole, Da:	4.86
IP(EA), eV:	-9.21(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-ethylsulfanyl-5-imino-6-[(5-methylfuran-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=CC=C3Cl)/C(=N)N21

DOS

IR

Vibrations