Geometry & MOs

Info

ID:	64404
PubChem CID:	29199672
Reduced:	SN3O6C24H27 (1)
Stoich.:	AB3C6D24E27 (1)
Weight, g/mol:	487.133255
ΔH_f, kcal/mol:	-149.12
Dipole, Da:	5.29
IP(EA), eV:	-8.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations