Geometry & MOs

Info

ID:	150946
PubChem CID:	53790643
Reduced:	O4C17H30 (1)
Stoich.:	A4B17C30 (1)
Weight, g/mol:	578.15162
ΔH_f, kcal/mol:	-185.86
Dipole, Da:	2.48
IP(EA), eV:	-9.78(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2R,3S,3aR,4R,6aR)-3-fluoro-4-[(3R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1(CO1)CCOCCC2CCCCCC2

DOS

IR

Vibrations