Geometry & MOs

Info

ID:	80004
PubChem CID:	49832159
Reduced:	OS2N4H20C26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	364.135782
ΔH_f, kcal/mol:	114.06
Dipole, Da:	2.6
IP(EA), eV:	-8.44(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(piperidin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]oxy]-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC3=CC=CC=C23)CC4=CNC5=C4C=CC(=C5)OC6=NC7=C(S6)C=CC=N7

DOS

IR

Vibrations