Geometry & MOs

Info

ID:

123824

PubChem CID:

50862771

Reduced:

SN3O3C29H35 (1)

Stoich.:

AB3C3D29E35 (1)

Weight, g/mol:

489.244999

ΔHf, kcal/mol:

-95.0

Dipole, Da:

11.32

IP(EA), eV:

 -8.31(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations