Geometry & MOs

Info

ID:	380432
PubChem CID:	134970879
Reduced:	O5C17H18 (1)
Stoich.:	A5B17C18 (1)
Weight, g/mol:	348.157288
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	2.59
IP(EA), eV:	-9.77(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,14S,16R)-14-ethoxy-10-hydroxy-5-methoxy-9-methyl-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),4-diene-3,6-dione

Drug info:

PubChemData

Smile

C[C@@]12CC3=C(C=C1C(=CCC2O)CO)C(=O)C=C(C3=O)OC

DOS

IR

Vibrations