Geometry & MOs

Info

ID:	66809
PubChem CID:	46505302
Reduced:	ClS2N4O4H21C23 (1)
Stoich.:	AB2C4D4E21F23 (1)
Weight, g/mol:	350.006281
ΔH_f, kcal/mol:	-17.31
Dipole, Da:	4.13
IP(EA), eV:	-8.72(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(2-chlorophenyl)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=C4Cl)OC)/C(=N)N21

DOS

IR

Vibrations