Geometry & MOs

Info

ID:	123707
PubChem CID:	50859569
Reduced:	FON2S2C17H19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	333.131112
ΔH_f, kcal/mol:	-53.81
Dipole, Da:	10.87
IP(EA), eV:	-8.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C\3/C(=O)NC(=S)S3)C)(C)C

DOS

IR

Vibrations