Geometry & MOs

Info

ID:

437286

PubChem CID:

135221639

Reduced:

F2O4N6H26C31 (1)

Stoich.:

A2B4C6D26E31 (1)

Weight, g/mol:

473.152161

ΔHf, kcal/mol:

-134.42

Dipole, Da:

3.76

IP(EA), eV:

 -8.89(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CNC2=C1C=CC(=C2)C3=C(C(=CC=C3)NC(=O)[C@@H]4C[C@H](CN4C(=O)CN5C6=CC=CC=C6C(=N5)C(=O)N)F)F

DOS

IR

Vibrations