Geometry & MOs

Info

ID:	172893
PubChem CID:	75567337
Reduced:	FOSN3C26H28 (1)
Stoich.:	ABCD3E26F28 (1)
Weight, g/mol:	477.188626
ΔH_f, kcal/mol:	-25.17
Dipole, Da:	6.15
IP(EA), eV:	-8.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)C=C3C(=O)N(C(=NC4=CC=CC=C4)S3)CC)C(=CC1(C)C)C

DOS

IR

Vibrations