Geometry & MOs

Info

ID:	18439
PubChem CID:	540950
Reduced:	IO7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	514.04885
ΔH_f, kcal/mol:	-261.72
Dipole, Da:	2.09
IP(EA), eV:	-10.08(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-acetyloxy-5-(iodomethyl)-11-methyl-6,16-dioxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC1C=CC23C4CCC5(CC4(CC5=O)C(C2C1(C(=O)O3)C)C(=O)O)CI

DOS

IR

Vibrations