Geometry & MOs

Info

ID:	43267
PubChem CID:	10320471
Reduced:	O9C22H22 (1)
Stoich.:	A9B22C22 (1)
Weight, g/mol:	430.256668
ΔH_f, kcal/mol:	-311.5
Dipole, Da:	3.92
IP(EA), eV:	-8.65(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2E,4E)-7,9,11,15-tetrahydroxy-6,10,14-trimethylheptadeca-2,4-dienedioate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]([C@@H](CC3=CC4=C(C=C23)OCO4)C(=O)O)C(=O)O

DOS

IR

Vibrations