Geometry & MOs

Info

ID:	390727
PubChem CID:	135000594
Reduced:	SN2O5F6C14H14 (1)
Stoich.:	AB2C5D6E14F14 (1)
Weight, g/mol:	316.110871
ΔH_f, kcal/mol:	-398.78
Dipole, Da:	10.9
IP(EA), eV:	-10.67(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-3-methyl-5-propyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-2,5-dihydrothiophene

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C(=CC2=CC=CC=C2[N+](=O)[O-])C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations