Geometry & MOs

Info

ID:	229047
PubChem CID:	87566841
Reduced:	SO6C7H12 (1)
Stoich.:	AB6C7D12 (1)
Weight, g/mol:	425.098074
ΔH_f, kcal/mol:	-266.96
Dipole, Da:	3.34
IP(EA), eV:	-10.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[(E)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]tetrazol-2-yl]acetate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC(C)(CS(=O)(=O)O)O

DOS

IR

Vibrations