Geometry & MOs

Info

ID:	312405
PubChem CID:	126604702
Reduced:	BrO2S2N3H14C16 (1)
Stoich.:	AB2C2D3E14F16 (1)
Weight, g/mol:	298.98569
ΔH_f, kcal/mol:	-3.5
Dipole, Da:	3.19
IP(EA), eV:	-8.45(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylsulfonyl-2,3,4,5-tetrahydrothieno[3,4-g][1,2,3]benzothiadiazole-6-carbonitrile

Drug info:

PubChemData

Smile

C\1CC2=C(SC(=C2C(=S)/C1=C\N)OC3=CN=C(C=C3)Br)CC(=O)N

DOS

IR

Vibrations