Geometry & MOs

Info

ID:	303611
PubChem CID:	124489959
Reduced:	F2O5C20H32 (1)
Stoich.:	A2B5C20D32 (1)
Weight, g/mol:	390.22178
ΔH_f, kcal/mol:	-384.75
Dipole, Da:	4.16
IP(EA), eV:	-10.35(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2S,4aS,5S,7aS)-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

CCCCC([C@@]1(CC[C@@H]2[C@H](O1)CC(=O)[C@H]2CCCCCCC(=O)O)O)(F)F

DOS

IR

Vibrations