Geometry & MOs

Info

ID:	122045
PubChem CID:	50790839
Reduced:	ON6C29H34 (1)
Stoich.:	AB6C29D34 (1)
Weight, g/mol:	478.136257
ΔH_f, kcal/mol:	63.15
Dipole, Da:	4.59
IP(EA), eV:	-8.51(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]-N-(3-fluorophenyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(=O)NCCCN4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations