Geometry & MOs

Info

ID:	130513
PubChem CID:	51091004
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	346.055818
ΔH_f, kcal/mol:	27.25
Dipole, Da:	0.98
IP(EA), eV:	-8.71(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylsulfonylphenyl)-5-(phenylsulfanylmethyl)tetrazole

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=CC(=CC=C2)C(=O)N(C)C)C3=CC=CO3

DOS

IR

Vibrations