Geometry & MOs

Info

ID:	64112
PubChem CID:	29196198
Reduced:	FSN3O5C22H28 (1)
Stoich.:	ABC3D5E22F28 (1)
Weight, g/mol:	461.177313
ΔH_f, kcal/mol:	-197.27
Dipole, Da:	4.55
IP(EA), eV:	-8.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-3-(3-methoxypropyl)-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations