Geometry & MOs

Info

ID:	16832
PubChem CID:	477188
Reduced:	ClSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	310.054277
ΔH_f, kcal/mol:	4.92
Dipole, Da:	2.5
IP(EA), eV:	-8.92(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-1-ynyl-6-chloro-4-cyclopropyl-1,3-dihydro-2lambda6,1,3-benzothiadiazine 2,2-dioxide

Drug info:

PubChemData

Smile

CCC#CC1(C2=C(C=CC(=C2)Cl)NS(=O)(=O)N1)C3CC3

DOS

IR

Vibrations