Geometry & MOs

Info

ID:	189621
PubChem CID:	77882305
Reduced:	NS2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	426.109483
ΔH_f, kcal/mol:	-59.32
Dipole, Da:	5.98
IP(EA), eV:	-9.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-phenyltetrazolidin-3-ium-2-yl]phenoxy]acetic acid;chloride

Drug info:

PubChemData

Smile

C1C2N(C1=O)C(C(=CCSC3=CC=CC=C3)S2)C(=O)O

DOS

IR

Vibrations