Geometry & MOs

Info

ID:	123952
PubChem CID:	50867409
Reduced:	FOSN3C20H24 (1)
Stoich.:	ABCD3E20F24 (1)
Weight, g/mol:	477.206385
ΔH_f, kcal/mol:	-45.17
Dipole, Da:	3.54
IP(EA), eV:	-8.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(3-ethoxyphenyl)-5-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)/C=C/3\C(=O)N(C(=NC)S3)C)C(=CC1(C)C)C

DOS

IR

Vibrations