Geometry & MOs

Info

ID:	43537
PubChem CID:	10321437
Reduced:	SN2O4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	448.236208
ΔH_f, kcal/mol:	-81.34
Dipole, Da:	6.36
IP(EA), eV:	-9.26(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methyl 2-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

C1CCN(C(C1)CNC(=O)C2=C3C=COC3=CC=C2)S(=O)(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations