Geometry & MOs

Info

ID:	234832
PubChem CID:	92303573
Reduced:	N2O3H22C23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	400.162077
ΔH_f, kcal/mol:	-35.89
Dipole, Da:	3.76
IP(EA), eV:	-8.51(-0.02)
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]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@H](CC(=O)NCC2=CC=CO2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations