Geometry & MOs

Info

ID:	56649
PubChem CID:	17504674
Reduced:	ION3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	376.059229
ΔH_f, kcal/mol:	68.64
Dipole, Da:	1.14
IP(EA), eV:	-9.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethyl] 4-(methylsulfonylmethyl)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CC(=CC=C2)I)CN3C=CC=N3

DOS

IR

Vibrations