Geometry & MOs

Info

ID:	66780
PubChem CID:	46505249
Reduced:	ClOS2N4H9C13 (1)
Stoich.:	ABC2D4E9F13 (1)
Weight, g/mol:	422.98232
ΔH_f, kcal/mol:	75.34
Dipole, Da:	4.49
IP(EA), eV:	-8.88(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[3-bromo-4-(dimethylamino)phenyl]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=CC=C3Cl)/C(=N)N21

DOS

IR

Vibrations