Geometry & MOs

Info

ID:	79894
PubChem CID:	49831084
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	368.219889
ΔH_f, kcal/mol:	-151.49
Dipole, Da:	5.33
IP(EA), eV:	-10.5(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1S,4R,5S,6S)-6-[(E,3S)-3-hydroperoxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1([C@@H]2CCC[C@@H]2C(=O)O1)CO

DOS

IR

Vibrations