Geometry & MOs

Info

ID:	360470
PubChem CID:	127301115
Reduced:	OSN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	342.078662
ΔH_f, kcal/mol:	41.1
Dipole, Da:	3.46
IP(EA), eV:	-8.73(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC=C1)C(=O)NC2=C(N3CCSC3=N2)C#N

DOS

IR

Vibrations