Geometry & MOs

Info

ID:	123699
PubChem CID:	50859561
Reduced:	FSN2O2C17H19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	423.178062
ΔH_f, kcal/mol:	-118.5
Dipole, Da:	10.17
IP(EA), eV:	-8.38(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations