Geometry & MOs

Info

ID:	188
PubChem CID:	2259
Reduced:	O9H14C22 (1)
Stoich.:	A9B14C22 (1)
Weight, g/mol:	422.063782
ΔH_f, kcal/mol:	-282.47
Dipole, Da:	6.52
IP(EA), eV:	-10.29(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O

DOS

IR

Vibrations