Geometry & MOs

Info

ID:

123764

PubChem CID:

50861006

Reduced:

ClON3C26H30 (1)

Stoich.:

ABC3D26E30 (1)

Weight, g/mol:

559.06959

ΔHf, kcal/mol:

-3.78

Dipole, Da:

8.16

IP(EA), eV:

 -8.34(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)/C(=C/C2=CC3=C(C=C2Cl)N(C(CC3C)(C)C)CC)/C#N

DOS

IR

Vibrations