Geometry & MOs

Info

ID:	123828
PubChem CID:	50862821
Reduced:	SO2N3C25H35 (1)
Stoich.:	AB2C3D25E35 (1)
Weight, g/mol:	412.218449
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	10.71
IP(EA), eV:	-8.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-but-3-en-2-yl-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)C=C3C(=O)N(C(=S)N(C3=O)CC)CC)C(CC1(C)C)C

DOS

IR

Vibrations