Geometry & MOs

Info

ID:	58979
PubChem CID:	24770076
Reduced:	SF2N3O5C27H31 (1)
Stoich.:	AB2C3D5E27F31 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-240.37
Dipole, Da:	7.66
IP(EA), eV:	-9.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4E,6S)-6-hydroxy-2-methyl-2,3,6,7,8,9-hexahydrooxecin-10-one

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)OC2(CC2)[C@H]3CCC[C@H](N3S(=O)(=O)C4=CC=CC(=C4)F)C5=CC(=CC=C5)F

DOS

IR

Vibrations