Geometry & MOs

Info

ID:	123950
PubChem CID:	50867356
Reduced:	BrFSO2N3H25C26 (1)
Stoich.:	ABCD2E3F25G26 (1)
Weight, g/mol:	479.204277
ΔH_f, kcal/mol:	-69.0
Dipole, Da:	12.15
IP(EA), eV:	-8.64(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)/C=C\3/C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)Br)C)C(=CC1(C)C)C

DOS

IR

Vibrations