Geometry & MOs

Info

ID:	123938
PubChem CID:	50866282
Reduced:	ClN2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	449.157326
ΔH_f, kcal/mol:	45.38
Dipole, Da:	6.19
IP(EA), eV:	-7.89(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C=NC3=CC=C(C=C3)Cl)C(=CC1(C)C)C

DOS

IR

Vibrations