Geometry & MOs

Info

ID:

123703

PubChem CID:

50859565

Reduced:

ClFON3C24H25 (1)

Stoich.:

ABCD3E24F25 (1)

Weight, g/mol:

467.167891

ΔHf, kcal/mol:

-41.26

Dipole, Da:

9.85

IP(EA), eV:

 -8.48(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C(\C#N)/C(=O)NC3=C(C(=CC=C3)Cl)C)C)(C)C

DOS

IR

Vibrations