Geometry & MOs

Info

ID:	36437
PubChem CID:	8006950
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	318.059362
ΔH_f, kcal/mol:	12.01
Dipole, Da:	7.0
IP(EA), eV:	-9.32(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chlorophenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC[C@@H](S2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations