Geometry & MOs

Info

ID:	164438
PubChem CID:	74399982
Reduced:	FSN3O3C23H24 (1)
Stoich.:	ABC3D3E23F24 (1)
Weight, g/mol:	358.115127
ΔH_f, kcal/mol:	-110.44
Dipole, Da:	6.73
IP(EA), eV:	-9.37(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluorophenyl)ethylamino]-5-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC2=NC(=O)C(S2)(C)C3=CC=C(C=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations