Geometry & MOs

Info

ID:	64098
PubChem CID:	29196116
Reduced:	SN2O2H20C21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	477.152241
ΔH_f, kcal/mol:	-8.9
Dipole, Da:	4.83
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations