Geometry & MOs

Info

ID:	427593
PubChem CID:	135160311
Reduced:	SN2O3F4H20C21 (1)
Stoich.:	AB2C3D4E20F21 (1)
Weight, g/mol:	474.089484
ΔH_f, kcal/mol:	-268.95
Dipole, Da:	8.1
IP(EA), eV:	-8.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxy-2-methoxyethyl)-N-[2-[4-(trifluoromethyl)anilino]ethyl]-1-benzothiophene-5-sulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(C1C(=O)O)C=C(C=C2)S(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations