Geometry & MOs

Info

ID:	224460
PubChem CID:	85343348
Reduced:	O3Br4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	540.235933
ΔH_f, kcal/mol:	-101.27
Dipole, Da:	3.33
IP(EA), eV:	-9.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[19-acetyloxy-17-(furan-3-yl)-8,8,12,18-tetramethyl-4,11-dioxo-7,14-dioxahexacyclo[10.8.0.02,6.02,9.013,15.013,18]icosan-20-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C1CC2(C(=C(C1(C2(OC)OC)Br)Br)Br)Br)O

DOS

IR

Vibrations