Geometry & MOs

Info

ID:	64125
PubChem CID:	29196272
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	445.146013
ΔH_f, kcal/mol:	-90.15
Dipole, Da:	6.82
IP(EA), eV:	-9.63(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCNC(=O)[C@@H]1CCCN1C2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations