Geometry & MOs

Info

ID:	150895
PubChem CID:	53790592
Reduced:	FSN3O6C17H22 (1)
Stoich.:	ABC3D6E17F22 (1)
Weight, g/mol:	218.035477
ΔH_f, kcal/mol:	-271.26
Dipole, Da:	5.4
IP(EA), eV:	-9.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-1-(2,3,4-trifluorophenyl)but-3-yn-1-ol

Drug info:

PubChemData

Smile

CCN1CCN(CC1=O)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COS(=O)(=O)C)F

DOS

IR

Vibrations