Geometry & MOs

Info

ID:	123893
PubChem CID:	50864369
Reduced:	SO2N3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	477.281384
ΔH_f, kcal/mol:	-11.84
Dipole, Da:	7.58
IP(EA), eV:	-8.1(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-cyclohexyl-2-cyclohexylimino-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations