Geometry & MOs

Info

ID:	234912
PubChem CID:	92303702
Reduced:	FSN2O3C21H29 (1)
Stoich.:	ABC2D3E21F29 (1)
Weight, g/mol:	416.155849
ΔH_f, kcal/mol:	-172.51
Dipole, Da:	7.8
IP(EA), eV:	-9.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

COCCCNC(=O)[C@H]1CS[C@H](N1C(=O)C2=CC(=CC=C2)F)C3CCCCC3

DOS

IR

Vibrations