Geometry & MOs

Info

ID:	235006
PubChem CID:	92303866
Reduced:	SN2O2C21H30 (1)
Stoich.:	AB2C2D21E30 (1)
Weight, g/mol:	420.130777
ΔH_f, kcal/mol:	-103.65
Dipole, Da:	4.3
IP(EA), eV:	-8.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CS[C@H](N1C(=O)C2=CC=C(C=C2)C)C3CCCCC3

DOS

IR

Vibrations