Geometry & MOs

Info

ID:	391581
PubChem CID:	135006693
Reduced:	NSF3O3C10H10 (1)
Stoich.:	ABC3D3E10F10 (1)
Weight, g/mol:	272.198759
ΔH_f, kcal/mol:	-242.09
Dipole, Da:	6.74
IP(EA), eV:	-8.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (11S)-11-hydroxy-12-methyl-9-oxotridecanoate

Drug info:

PubChemData

Smile

C1C[N+]2=CC=CC=C2C=C1.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations