Geometry & MOs

Info

ID:	382574
PubChem CID:	134973821
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	336.120903
ΔH_f, kcal/mol:	-120.97
Dipole, Da:	1.86
IP(EA), eV:	-9.27(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[(5S,6R,7S)-9-formyl-7-hydroxy-4-methoxy-2-oxo-1-oxaspiro[4.5]deca-3,8-dien-6-yl]-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC/C=C/C=C/[C@@](C)(C(=O)OC)O

DOS

IR

Vibrations