Geometry & MOs

Info

ID:

311115

PubChem CID:

126589447

Reduced:

FN7O8H36C37 (1)

Stoich.:

AB7C8D36E37 (1)

Weight, g/mol:

524.06083

ΔHf, kcal/mol:

-292.57

Dipole, Da:

14.1

IP(EA), eV:

 -9.29(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[2-[7-fluoro-4-(2-iodoethyl)-6-methylquinolin-2-yl]-6-oxo-1H-pyridin-4-yl]-3-hydroxypentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C2C3=C1CC[C@@H](C3=C4CN5C(=CC6=C(C5=O)COC(=O)[C@@]6(C)O)C4=N2)NC(=O)CNC(=O)[C@H](C7=CC=CC=C7)NC(=O)CNC(=O)CN)F

DOS

IR

Vibrations