Geometry & MOs

Info

ID:	345701
PubChem CID:	127270001
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-194.41
Dipole, Da:	3.86
IP(EA), eV:	-8.3(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)C3COCCO3)OC

DOS

IR

Vibrations