Geometry & MOs

Info

ID:	123577
PubChem CID:	50854899
Reduced:	ClON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	3.79
Dipole, Da:	5.14
IP(EA), eV:	-8.27(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(1-cyclohexylpyrrol-3-yl)methylidene]-2-(4-ethoxyanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N=CC2=CN(C=C2)C3CCCCC3)Cl

DOS

IR

Vibrations