Geometry & MOs

Info

ID:

441088

PubChem CID:

135233038

Reduced:

ClISF3O4N5H22C29 (1)

Stoich.:

ABCD3E4F5G22H29 (1)

Weight, g/mol:

445.16848

ΔHf, kcal/mol:

-167.37

Dipole, Da:

5.55

IP(EA), eV:

 -9.48(-2.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-morpholin-4-ylquinolin-6-yl) 2-imino-5-(1-methylpyrazol-4-yl)pyridine-1-carboximidothioate

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CC(=C2)[S@@](=O)I)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N

DOS

IR

Vibrations