Geometry & MOs

Info

ID:	123917
PubChem CID:	50865617
Reduced:	FSN2O2C21H23 (1)
Stoich.:	ABC2D2E21F23 (1)
Weight, g/mol:	493.183541
ΔH_f, kcal/mol:	-91.76
Dipole, Da:	7.86
IP(EA), eV:	-8.24(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-[(5E)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)F)/C=C/3\C(=O)N(C(=O)S3)C(C)C=C)C)(C)C

DOS

IR

Vibrations