Geometry & MOs

Info

ID:

123747

PubChem CID:

50860630

Reduced:

Cl2O2N3C25H27 (1)

Stoich.:

A2B2C3D25E27 (1)

Weight, g/mol:

477.208613

ΔHf, kcal/mol:

-63.47

Dipole, Da:

4.62

IP(EA), eV:

 -7.92(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=O)N3)CC4=C(C=C(C=C4)Cl)Cl)C(CC1(C)C)C

DOS

IR

Vibrations