Geometry & MOs

Info

ID:	349687
PubChem CID:	127275839
Reduced:	SN3O3C18H31 (1)
Stoich.:	AB3C3D18E31 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	-179.7
Dipole, Da:	6.85
IP(EA), eV:	-8.88(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,3-benzodioxol-5-yl)acetyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CSCC1C(=O)NC(C)(C)C)NC(=O)C2CCCCC2

DOS

IR

Vibrations