Geometry & MOs

Info

ID:	283910
PubChem CID:	104019868
Reduced:	ClSN3O4C11H12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	331.021597
ΔH_f, kcal/mol:	-89.92
Dipole, Da:	11.57
IP(EA), eV:	-9.4(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CN1C(=NN=C1S(=O)(=O)Cl)C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations