Geometry & MOs

Info

ID:	196181
PubChem CID:	78793633
Reduced:	FSN3O3C19H22 (1)
Stoich.:	ABC3D3E19F22 (1)
Weight, g/mol:	400.052705
ΔH_f, kcal/mol:	-130.42
Dipole, Da:	4.72
IP(EA), eV:	-8.87(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations