Geometry & MOs

Info

ID:	124017
PubChem CID:	50869910
Reduced:	ON5C29H31 (1)
Stoich.:	AB5C29D31 (1)
Weight, g/mol:	458.187543
ΔH_f, kcal/mol:	69.95
Dipole, Da:	10.21
IP(EA), eV:	-8.09(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5Z)-5-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=C/3\C(=C(C4=C3C(=C(C(=N4)N)C#N)C)C#N)C)C(=CC1(C)C)C

DOS

IR

Vibrations