Geometry & MOs

Info

ID:	66763
PubChem CID:	46505220
Reduced:	ClS2N4O4H21C23 (1)
Stoich.:	AB2C4D4E21F23 (1)
Weight, g/mol:	433.973267
ΔH_f, kcal/mol:	-22.84
Dipole, Da:	4.78
IP(EA), eV:	-8.62(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2Cl)/C=C\3/C(=N)N4C(=NC3=O)SN=C4SC)OC

DOS

IR

Vibrations