Geometry & MOs

Info

ID:	226626
PubChem CID:	87544463
Reduced:	SN3O3F4H15C20 (1)
Stoich.:	AB3C3D4E15F20 (1)
Weight, g/mol:	451.061375
ΔH_f, kcal/mol:	-214.91
Dipole, Da:	5.81
IP(EA), eV:	-9.33(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(4-fluorophenyl)pyridin-3-yl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1C(C1C(=O)NC2=NC=CS2)C3=CN=C(C=C3)C4=CC=C(C=C4)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations