Geometry & MOs

Info

ID:

124014

PubChem CID:

50869881

Reduced:

SCl2N3O3C27H27 (1)

Stoich.:

AB2C3D3E27F27 (1)

Weight, g/mol:

503.224263

ΔHf, kcal/mol:

-79.87

Dipole, Da:

12.36

IP(EA), eV:

 -8.52(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-1-(2-ethylphenyl)-5-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=C\3/C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)Cl)C(=CC1(C)C)C

DOS

IR

Vibrations