Geometry & MOs

Info

ID:	284732
PubChem CID:	104065722
Reduced:	ClSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	326.060425
ΔH_f, kcal/mol:	-121.99
Dipole, Da:	7.13
IP(EA), eV:	-8.92(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-butyltetrazol-5-yl)methylsulfanyl]-2-chlorobenzoic acid

Drug info:

PubChemData

Smile

CCOCCCSC1=CC(=C(C=C1)Cl)C(=O)O

DOS

IR

Vibrations