Geometry & MOs

Info

ID:	64081
PubChem CID:	29196038
Reduced:	FSN3O5C21H26 (1)
Stoich.:	ABC3D5E21F26 (1)
Weight, g/mol:	451.136591
ΔH_f, kcal/mol:	-196.22
Dipole, Da:	2.11
IP(EA), eV:	-9.04(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[(5S)-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

DOS

IR

Vibrations