Geometry & MOs

Info

ID:	123951
PubChem CID:	50867408
Reduced:	FSO2N3C27H30 (1)
Stoich.:	ABC2D3E27F30 (1)
Weight, g/mol:	373.162412
ΔH_f, kcal/mol:	-63.74
Dipole, Da:	7.57
IP(EA), eV:	-8.19(-0.96)
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-methyl-2-methylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)CCOC)C(=CC1(C)C)C

DOS

IR

Vibrations