Geometry & MOs

Info

ID:	419395
PubChem CID:	135108112
Reduced:	ClSN3O3C16H18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	366.134635
ΔH_f, kcal/mol:	-60.81
Dipole, Da:	4.25
IP(EA), eV:	-8.41(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(1R,5R)-3-acetyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-4-chlorophenoxy]acetic acid

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)SCCC(=O)NCCN3C=C(C=N3)Cl

DOS

IR

Vibrations