Geometry & MOs

Info

ID:	397516
PubChem CID:	135030323
Reduced:	NO2S2F3C17H18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	-206.71
Dipole, Da:	3.19
IP(EA), eV:	-8.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7R)-5-hydroxy-8-oxo-7-phenylbicyclo[3.2.1]octane-6-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@@H](C)SC2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations