Geometry & MOs

Info

ID:	303610
PubChem CID:	124489958
Reduced:	O7C16H16 (1)
Stoich.:	A7B16C16 (1)
Weight, g/mol:	390.22178
ΔH_f, kcal/mol:	-258.05
Dipole, Da:	4.82
IP(EA), eV:	-9.14(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2S,4aS,5S,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]heptanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O

DOS

IR

Vibrations