Geometry & MOs

Info

ID:

123713

PubChem CID:

50859575

Reduced:

FSN3O3C26H28 (1)

Stoich.:

ABC3D3E26F28 (1)

Weight, g/mol:

529.08349

ΔHf, kcal/mol:

-120.3

Dipole, Da:

12.72

IP(EA), eV:

 -8.51(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-1-(4-bromo-2-methylphenyl)-5-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3F)N(C(CC4C)(C)C)C)/C(=O)NC2=S

DOS

IR

Vibrations