Geometry & MOs

Info

ID:	123872
PubChem CID:	50863432
Reduced:	ClN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	555.195855
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	5.65
IP(EA), eV:	-8.0(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-5-[(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)C=NC3=CC4=C(C=C3)OCO4)C(CC1(C)C)C

DOS

IR

Vibrations