Geometry & MOs

Info

ID:	46473
PubChem CID:	10524579
Reduced:	S2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	392.104003
ΔH_f, kcal/mol:	-121.16
Dipole, Da:	5.4
IP(EA), eV:	-8.37(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-diphenyltetrazol-2-ium-5-yl)phenyl] acetate;chloride

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@@H]2CCCC[C@H]2[C@@H]1C3=CC(=C(C(=O)O3)C4SCCCS4)OC

DOS

IR

Vibrations