Geometry & MOs

Info

ID:	124012
PubChem CID:	50869879
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	533.234828
ΔH_f, kcal/mol:	-115.19
Dipole, Da:	9.24
IP(EA), eV:	-8.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=C/3\C(=O)N(C(=O)S3)CC)C(=CC1(C)C)C

DOS

IR

Vibrations