Geometry & MOs

Info

ID:	31356
PubChem CID:	855615
Reduced:	SO4N5C13H15 (1)
Stoich.:	AB4C5D13E15 (1)
Weight, g/mol:	337.084475
ΔH_f, kcal/mol:	-57.34
Dipole, Da:	6.77
IP(EA), eV:	-10.4(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3)C(=O)O

DOS

IR

Vibrations