Geometry & MOs

Info

ID:	847
PubChem CID:	3430
Reduced:	O7C26H34 (1)
Stoich.:	A7B26C34 (1)
Weight, g/mol:	458.230453
ΔH_f, kcal/mol:	-205.48
Dipole, Da:	5.65
IP(EA), eV:	-9.54(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid

Drug info:

PubChemData

Smile

CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C

DOS

IR

Vibrations