Geometry & MOs

Info

ID:	23923
PubChem CID:	607122
Reduced:	IO7C22H25 (1)
Stoich.:	AB7C22D25 (1)
Weight, g/mol:	528.0645
ΔH_f, kcal/mol:	-275.07
Dipole, Da:	11.29
IP(EA), eV:	-10.08(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyloxy-13-(iodomethyl)-2,4-dimethyl-5,14-dioxo-6-oxapentacyclo[11.2.1.14,7.01,10.03,9]heptadec-8-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC1C2C=C3C4CCC5(CC4(CC5=O)C(C3C1(C(=O)O2)C)(C)C(=O)O)CI

DOS

IR

Vibrations