Geometry & MOs

Info

ID:	19313
PubChem CID:	560974
Reduced:	O4C13H15 (2)
Stoich.:	A4B13C15 (2)
Weight, g/mol:	470.194068
ΔH_f, kcal/mol:	-320.29
Dipole, Da:	5.33
IP(EA), eV:	-9.19(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8,11-diacetyloxy-16-methyl-6-oxo-14-oxapentacyclo[11.4.3.01,20.05,20.07,12]icosa-7,9,11-triene-4-carboxylate

Drug info:

PubChemData

Smile

CC1CC23CCC(C4C2(CC3)C(C5=C(C=CC(=C5C4=O)OC(=O)C)OC(=O)C)OC1)C(=O)OC

DOS

IR

Vibrations