Geometry & MOs

Info

ID:	123859
PubChem CID:	50863159
Reduced:	ClO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	467.179812
ΔH_f, kcal/mol:	-88.08
Dipole, Da:	8.51
IP(EA), eV:	-8.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=C\3/C(=O)NC(=O)N3)C(CC1(C)C)C

DOS

IR

Vibrations