Geometry & MOs

Info

ID:	123719
PubChem CID:	50859581
Reduced:	FON3C25H28 (1)
Stoich.:	ABC3D25E28 (1)
Weight, g/mol:	471.118354
ΔH_f, kcal/mol:	-35.28
Dipole, Da:	8.62
IP(EA), eV:	-8.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(3-chlorophenyl)-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

CCC1=CC=CC=C1NC(=O)/C(=C/C2=CC3=C(C=C2F)N(C(CC3C)(C)C)C)/C#N

DOS

IR

Vibrations