Geometry & MOs

Info

ID:	123929
PubChem CID:	50865675
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	463.172976
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	10.21
IP(EA), eV:	-8.07(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)OC)/C=N\NC(=O)COC3=CC=C(C=C3)Cl)C)(C)C

DOS

IR

Vibrations