Geometry & MOs

Info

ID:	201990
PubChem CID:	79614973
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	270.157957
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	4.5
IP(EA), eV:	-9.35(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2)CC(=O)NC3CS(=O)(=O)C=C3

DOS

IR

Vibrations