Geometry & MOs

Info

ID:	807
PubChem CID:	3381
Reduced:	FO3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	452.201045
ΔH_f, kcal/mol:	-355.1
Dipole, Da:	9.59
IP(EA), eV:	-9.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

Drug info:

PubChemData

Smile

CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C

DOS

IR

Vibrations