Geometry & MOs

Info

ID:	234976
PubChem CID:	92303814
Reduced:	Cl2N2O2H20C21 (1)
Stoich.:	A2B2C2D20E21 (1)
Weight, g/mol:	392.076155
ΔH_f, kcal/mol:	-43.93
Dipole, Da:	4.15
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-chloro-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C[C@H](C2=CC(=C(C=C2)Cl)Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations