Geometry & MOs

Info

ID:	27140
PubChem CID:	815326
Reduced:	ClSN2O2H15C16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	241.059506
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	4.62
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CS[C@H](N1C(=O)COC2=CC=C(C=C2)Cl)C3=CC=NC=C3

DOS

IR

Vibrations