Geometry & MOs

Info

ID:	58673
PubChem CID:	24712459
Reduced:	FSN2O2H15C18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	306.083827
ΔH_f, kcal/mol:	-42.63
Dipole, Da:	3.08
IP(EA), eV:	-9.44(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)COC3=CC(=CC=C3)F

DOS

IR

Vibrations