Geometry & MOs

Info

ID:	235024
PubChem CID:	92303905
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	412.162077
ΔH_f, kcal/mol:	-107.08
Dipole, Da:	2.52
IP(EA), eV:	-8.88(-0.84)
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]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=C([C@H](CC(=O)N1CC2=CC=CC=C2C#N)C3=CC=CC=C3OC)C(=O)OC(C)C

DOS

IR

Vibrations