Geometry & MOs

Info

ID:	52767
PubChem CID:	12015909
Reduced:	OC16H28 (1)
Stoich.:	AB16C28 (1)
Weight, g/mol:	374.209324
ΔH_f, kcal/mol:	-58.89
Dipole, Da:	0.94
IP(EA), eV:	-8.97(1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,9R,10R,17R)-2,6,6,10-tetramethyl-14-oxo-13,18-dioxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-11(15)-en-9-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1CC/C=C(/CC[C@@H]2[C@@H]([C@H]1OC)C2(C)C)\C

DOS

IR

Vibrations