Geometry & MOs

Info

ID:	393178
PubChem CID:	135019627
Reduced:	SN2O12H32C34 (1)
Stoich.:	AB2C12D32E34 (1)
Weight, g/mol:	241.072591
ΔH_f, kcal/mol:	-416.78
Dipole, Da:	7.49
IP(EA), eV:	-9.97(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/C2=CC=CC=C2)\O[C@H]3C(C([C@@H](C(O3)COC(=O)C)OC(=O)C)OC(=O)C)N4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations