Geometry & MOs

Info

ID:	27141
PubChem CID:	815412
Reduced:	NOS2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	277.150036
ΔH_f, kcal/mol:	-25.66
Dipole, Da:	4.97
IP(EA), eV:	-8.94(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CCS[C@@H]1C2=CC=CS2

DOS

IR

Vibrations