Geometry & MOs

Info

ID:	246639
PubChem CID:	103064141
Reduced:	SN2O3C11H20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	-158.72
Dipole, Da:	6.1
IP(EA), eV:	-8.91(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(thiolan-3-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)O)NC(=O)NC1CCSC1

DOS

IR

Vibrations