Geometry & MOs

Info

ID:

441074

PubChem CID:

135233008

Reduced:

ClF2N4O5C34H35 (1)

Stoich.:

AB2C4D5E34F35 (1)

Weight, g/mol:

461.19978

ΔHf, kcal/mol:

-226.39

Dipole, Da:

2.96

IP(EA), eV:

 -9.2(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(3-methylmorpholin-4-yl)quinolin-6-yl] 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-iminopyridine-1-carboximidothioate

Drug info:

PubChemData

Smile

C1CC(N([C@@H]1CC(=O)N(C2=CC(=CC=C2)OCCO)[C@@H](C3=CC=CC=C3Cl)C(=O)CCC4CC(C4)(F)F)C5=NC=CC(=C5)C#N)O

DOS

IR

Vibrations