Geometry & MOs

Info

ID:	27142
PubChem CID:	815565
Reduced:	NOSC16H23 (1)
Stoich.:	ABCD16E23 (1)
Weight, g/mol:	339.165686
ΔH_f, kcal/mol:	-51.53
Dipole, Da:	3.08
IP(EA), eV:	-8.88(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCS[C@@H]1C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations