Geometry & MOs

Info

ID:	64108
PubChem CID:	29196178
Reduced:	FSO2N4H21C27 (1)
Stoich.:	ABC2D4E21F27 (1)
Weight, g/mol:	494.177647
ΔH_f, kcal/mol:	-12.01
Dipole, Da:	5.34
IP(EA), eV:	-8.41(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-[(5S)-2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N=C3N(C(=O)[C@H](S3)CC(=O)NC4=CC=C(C=C4)F)CC5=CC=CC=N5

DOS

IR

Vibrations