Geometry & MOs

Info

ID:	69339
PubChem CID:	46530748
Reduced:	ClNF3O3C17H17 (1)
Stoich.:	ABC3D3E17F17 (1)
Weight, g/mol:	440.084005
ΔH_f, kcal/mol:	-260.16
Dipole, Da:	5.95
IP(EA), eV:	-9.08(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCO3)C(F)(F)F

DOS

IR

Vibrations