Geometry & MOs

Info

ID:	54654
PubChem CID:	17389047
Reduced:	SN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	464.213364
ΔH_f, kcal/mol:	-23.38
Dipole, Da:	9.42
IP(EA), eV:	-9.78(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-cyclohexyl-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C/C(=N/NC2=NC(=O)C(S2)CC(=O)O)/C3=CC=CC=C3

DOS

IR

Vibrations