Geometry & MOs

Info

ID:	158826
PubChem CID:	56479465
Reduced:	BrN2O4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	441.135842
ΔH_f, kcal/mol:	-64.62
Dipole, Da:	2.78
IP(EA), eV:	-8.81(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)C3=C(N=CC=C3)OC4=CC=C(C=C4)Br

DOS

IR

Vibrations