Geometry & MOs

Info

ID:	169491
PubChem CID:	75110813
Reduced:	O6C23H32 (1)
Stoich.:	A6B23C32 (1)
Weight, g/mol:	529.267567
ΔH_f, kcal/mol:	-267.43
Dipole, Da:	9.39
IP(EA), eV:	-9.36(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-hydroxy-5-methoxy-3-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-1H-isoindol-2-yl]pentanedioic acid

Drug info:

PubChemData

Smile

CC=CC=CC=CC(=O)OC1CC(C(C2(C1C(CCC2)(C)C)C)C(=O)O)C(=O)O

DOS

IR

Vibrations