Geometry & MOs

Info

ID:	80003
PubChem CID:	49832156
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	468.107854
ΔH_f, kcal/mol:	26.35
Dipole, Da:	1.56
IP(EA), eV:	-8.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC1COCCN1CC2=CNC3=C2C=CC(=C3)OC4=NC5=C(S4)C=CC=N5

DOS

IR

Vibrations