Geometry & MOs

Info

ID:	397249
PubChem CID:	135029954
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	6.09
IP(EA), eV:	-8.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-3-hydroxybutyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)N2CNC3=C(C2=O)C=C(C=C3)OC

DOS

IR

Vibrations