Geometry & MOs

Info

ID:	168436
PubChem CID:	74967654
Reduced:	O3H10C13 (2)
Stoich.:	A3B10C13 (2)
Weight, g/mol:	529.261043
ΔH_f, kcal/mol:	-153.28
Dipole, Da:	6.76
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(naphthalen-1-ylsulfonylamino)-5-oxo-5-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]pentanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC3=C(C=C2)C4C(C(C4C(=O)O)C(=O)O)C5=CC=CC=C5C3=O

DOS

IR

Vibrations