Geometry & MOs

Info

ID:	234807
PubChem CID:	92303533
Reduced:	ON2F3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	418.135114
ΔH_f, kcal/mol:	-166.12
Dipole, Da:	8.35
IP(EA), eV:	-8.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C[C@@H](C2=CC(=CC=C2)C(F)(F)F)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations