Geometry & MOs

Info

ID:	66779
PubChem CID:	46505248
Reduced:	BrO2S2N4H11C17 (1)
Stoich.:	AB2C2D4E11F17 (1)
Weight, g/mol:	335.990631
ΔH_f, kcal/mol:	80.96
Dipole, Da:	6.01
IP(EA), eV:	-8.87(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(2-chlorophenyl)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)C4=CC=C(C=C4)Br)/C(=N)N21

DOS

IR

Vibrations