Geometry & MOs

Info

ID:	215965
PubChem CID:	85085516
Reduced:	SC6H6O6 (1)
Stoich.:	AB6C6D6 (1)
Weight, g/mol:	206.057909
ΔH_f, kcal/mol:	-251.31
Dipole, Da:	0.53
IP(EA), eV:	-10.5(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-carboxyethenyl)cyclohepta-1,3,5-triene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=O)SC(C1(C(=O)O)O)C(=O)O

DOS

IR

Vibrations