Geometry & MOs

Info

ID:	222568
PubChem CID:	85305539
Reduced:	O9C17H24 (1)
Stoich.:	A9B17C24 (1)
Weight, g/mol:	372.157288
ΔH_f, kcal/mol:	-385.51
Dipole, Da:	5.41
IP(EA), eV:	-9.04(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(2-ethoxyethynyl)-11-hydroxy-2,14-dimethyl-7,12-dioxapentacyclo[9.5.1.02,13.03,10.04,8]heptadec-14-ene-6,16-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CCC(=O)OC)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations