Geometry & MOs

Info

ID:

192949

PubChem CID:

78326481

Reduced:

SN3O8C31H37 (1)

Stoich.:

AB3C8D31E37 (1)

Weight, g/mol:

530.198777

ΔHf, kcal/mol:

-209.7

Dipole, Da:

8.09

IP(EA), eV:

 -9.34(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-(2-oxo-4aH-quinoline-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C(=CO2)CN(CC3=CC=CC=C3)C(=O)CN(CC4CCCO4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations