Geometry & MOs

Info

ID:	260928
PubChem CID:	103209904
Reduced:	NSF3O3C12H12 (1)
Stoich.:	ABC3D3E12F12 (1)
Weight, g/mol:	321.064649
ΔH_f, kcal/mol:	-222.91
Dipole, Da:	4.04
IP(EA), eV:	-9.18(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

C1=C(SC=C1C#CCO)CNC(=O)COCC(F)(F)F

DOS

IR

Vibrations