Geometry & MOs

Info

ID:	64403
PubChem CID:	29199568
Reduced:	NOSC5H8 (2)
Stoich.:	ABCD5E8 (2)
Weight, g/mol:	485.162057
ΔH_f, kcal/mol:	-62.39
Dipole, Da:	2.58
IP(EA), eV:	-8.63(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SCC(=O)N[C@H](C)COC

DOS

IR

Vibrations