Geometry & MOs

Info

ID:	43605
PubChem CID:	10321536
Reduced:	S4O5H14C19 (1)
Stoich.:	A4B5C14D19 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-83.84
Dipole, Da:	2.53
IP(EA), eV:	-8.63(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-3-yl-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=C(/C=C/C(=O)C2=CC=CS2)C3=CC=CS3)S1)C(=O)OC

DOS

IR

Vibrations