Geometry & MOs

Info

ID:	80472
PubChem CID:	49834619
Reduced:	ClOSF2N3C14H14 (1)
Stoich.:	ABCD2E3F14G14 (1)
Weight, g/mol:	419.141596
ΔH_f, kcal/mol:	-95.73
Dipole, Da:	4.4
IP(EA), eV:	-9.34(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,4S)-5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=C(S2)C3=NNC(=C3)C(F)(F)Cl

DOS

IR

Vibrations