Geometry & MOs

Info

ID:	234761
PubChem CID:	92303450
Reduced:	FON4C24H33 (1)
Stoich.:	ABC4D24E33 (1)
Weight, g/mol:	406.115127
ΔH_f, kcal/mol:	-72.7
Dipole, Da:	3.21
IP(EA), eV:	-8.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@H](CC)C(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)F

DOS

IR

Vibrations