Geometry & MOs

Info

ID:

123704

PubChem CID:

50859566

Reduced:

FSN3O3C25H26 (1)

Stoich.:

ABC3D3E25F26 (1)

Weight, g/mol:

481.183541

ΔHf, kcal/mol:

-114.8

Dipole, Da:

11.91

IP(EA), eV:

 -8.58(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC)C)(C)C

DOS

IR

Vibrations