Geometry & MOs

Info

ID:	312336
PubChem CID:	126604330
Reduced:	PO8C20H35 (1)
Stoich.:	AB8C20D35 (1)
Weight, g/mol:	502.144358
ΔH_f, kcal/mol:	-431.93
Dipole, Da:	6.89
IP(EA), eV:	-9.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)sulfonyl-4-[1-(2-methylsulfonylethoxycarbonyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(CC(CCC(=O)O)CCC(=O)O)CP(CCC(=O)O)CCC(=O)O

DOS

IR

Vibrations