Geometry & MOs

Info

ID:	48607
PubChem CID:	11109918
Reduced:	ON3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	317.086784
ΔH_f, kcal/mol:	51.28
Dipole, Da:	5.94
IP(EA), eV:	-8.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]oxy]-4-butylsulfonyl-1,2,5-thiadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=N/NC(=O)C2=CNC(=C2C)C3=CC=CC=C3

DOS

IR

Vibrations