Geometry & MOs

Info

ID:	164437
PubChem CID:	74399801
Reduced:	NaO3N5C9H18 (1)
Stoich.:	AB3C5D9E18 (1)
Weight, g/mol:	441.152241
ΔH_f, kcal/mol:	-27.56
Dipole, Da:	26.99
IP(EA), eV:	-5.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)N1CCN(CC1)N(N=O)[O-].[Na+]

DOS

IR

Vibrations