Geometry & MOs

Info

ID:	64102
PubChem CID:	29196150
Reduced:	FSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	487.192963
ΔH_f, kcal/mol:	-160.38
Dipole, Da:	4.52
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[(5S)-2-naphthalen-1-ylimino-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F)OC3=CC=CC=C3

DOS

IR

Vibrations