Geometry & MOs

Info

ID:	123904
PubChem CID:	50865091
Reduced:	ClN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	420.091056
ΔH_f, kcal/mol:	-91.16
Dipole, Da:	8.42
IP(EA), eV:	-8.41(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5Z)-5-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3Cl)N(C(C=C4C)(C)C)C)/C(=O)NC2=O)C

DOS

IR

Vibrations