Geometry & MOs

Info

ID:	172861
PubChem CID:	75561175
Reduced:	ClO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	529.08349
ΔH_f, kcal/mol:	-50.06
Dipole, Da:	7.26
IP(EA), eV:	-8.4(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-methylphenyl)-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)Cl)C=C(C#N)C(=O)N3CCOCC3)C)(C)C

DOS

IR

Vibrations