Geometry & MOs

Info

ID:	345261
PubChem CID:	127269342
Reduced:	BrN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-106.35
Dipole, Da:	4.08
IP(EA), eV:	-8.77(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzothiazol-2-yl(methyl)amino]-N-[(4-methylmorpholin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)C2CCN(C2=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations