Geometry & MOs

Info

ID:	235015
PubChem CID:	92303884
Reduced:	F2N2O4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	400.162077
ΔH_f, kcal/mol:	-201.59
Dipole, Da:	4.81
IP(EA), eV:	-9.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)N[C@H]1C2=CC=CC=C2F)C)COC3=CC=CC=C3F

DOS

IR

Vibrations