Geometry & MOs

Info

ID:	234968
PubChem CID:	92303802
Reduced:	ClNO3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	412.071548
ΔH_f, kcal/mol:	-109.27
Dipole, Da:	2.64
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C([C@H](CC(=O)N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OC(C)C

DOS

IR

Vibrations