Geometry & MOs

Info

ID:	36441
PubChem CID:	8006962
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	361.053942
ΔH_f, kcal/mol:	53.83
Dipole, Da:	6.21
IP(EA), eV:	-9.4(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2S)-3-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate

Drug info:

PubChemData

Smile

C1[C@H](SC(=N1)NCCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations