Geometry & MOs

Info

ID:	66777
PubChem CID:	46505246
Reduced:	S2O4N5H7C11 (1)
Stoich.:	A2B4C5D7E11 (1)
Weight, g/mol:	369.91938
ΔH_f, kcal/mol:	64.43
Dipole, Da:	8.94
IP(EA), eV:	-9.09(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(5-bromofuran-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)[N+](=O)[O-])/C(=N)N21

DOS

IR

Vibrations