Geometry & MOs

Info

ID:	221342
PubChem CID:	85267787
Reduced:	O7C22H30 (1)
Stoich.:	A7B22C30 (1)
Weight, g/mol:	406.199153
ΔH_f, kcal/mol:	-298.44
Dipole, Da:	2.8
IP(EA), eV:	-9.99(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(11-hydroxy-4,6-dimethyldodeca-2,4-dienoyl)oxy-6-oxo-2,3-dihydropyran-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1(OCC(O1)C(C(CC=C)(C2COC(O2)(C)C)O)OC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations