Geometry & MOs

Info

ID:	7959
PubChem CID:	74533
Reduced:	Cl2O6H16C23 (1)
Stoich.:	A2B6C16D23 (1)
Weight, g/mol:	458.032394
ΔH_f, kcal/mol:	-191.38
Dipole, Da:	11.01
IP(EA), eV:	-10.06(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C(=O)O)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations