Geometry & MOs

Info

ID:	150688
PubChem CID:	53790382
Reduced:	ClO3C28H31 (1)
Stoich.:	AB3C28D31 (1)
Weight, g/mol:	410.249081
ΔH_f, kcal/mol:	-93.65
Dipole, Da:	4.52
IP(EA), eV:	-8.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(1R,2R,3S,4S)-3-(3-hydroxy-4,4-dimethyloct-1-enyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethylsulfanyl]pent-3-enoic acid

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(CC)C3=CC=CC=C3)Cl

DOS

IR

Vibrations