Geometry & MOs

Info

ID:	129836
PubChem CID:	51074011
Reduced:	SO2N4C10H16 (1)
Stoich.:	AB2C4D10E16 (1)
Weight, g/mol:	321.089561
ΔH_f, kcal/mol:	-28.09
Dipole, Da:	4.41
IP(EA), eV:	-9.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-nitrophenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole

Drug info:

PubChemData

Smile

CC(C(=O)OC)SC1=NN=NN1C2CCCC2

DOS

IR

Vibrations