Geometry & MOs

Info

ID:	248799
PubChem CID:	103084529
Reduced:	ClON4C11H19 (1)
Stoich.:	ABC4D11E19 (1)
Weight, g/mol:	264.044775
ΔH_f, kcal/mol:	-6.91
Dipole, Da:	5.46
IP(EA), eV:	-10.09(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1-chloroethyl)tetrazol-1-yl]thiane 1,1-dioxide

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CCOC2CCCCC2)Cl

DOS

IR

Vibrations