Geometry & MOs

Info

ID:	235055
PubChem CID:	92303957
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	400.162077
ΔH_f, kcal/mol:	-94.92
Dipole, Da:	4.91
IP(EA), eV:	-8.26(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]hexanamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@H](CC(=O)NCC(C)C)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations