Geometry & MOs

Info

ID:	288566
PubChem CID:	104319903
Reduced:	SN2O5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	263.082744
ΔH_f, kcal/mol:	-195.19
Dipole, Da:	3.52
IP(EA), eV:	-9.7(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)sulfonyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)S(=O)(=O)C3=CNC(=C3)C(=O)O)O

DOS

IR

Vibrations