Geometry & MOs

Info

ID:	123906
PubChem CID:	50865101
Reduced:	ClSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	422.052563
ΔH_f, kcal/mol:	-30.73
Dipole, Da:	9.84
IP(EA), eV:	-8.46(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)Cl)/C=C/3\C(=O)NC(=S)N(C3=O)CC=C)C)(C)C

DOS

IR

Vibrations