Geometry & MOs

Info

ID:	937
PubChem CID:	3553
Reduced:	ClFO5C24H32 (1)
Stoich.:	ABC5D24E32 (1)
Weight, g/mol:	454.19223
ΔH_f, kcal/mol:	-300.49
Dipole, Da:	7.89
IP(EA), eV:	-9.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one

Drug info:

PubChemData

Smile

CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C

DOS

IR

Vibrations