Geometry & MOs

Info

ID:	448863
PubChem CID:	135294142
Reduced:	ClON3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	446.10653
ΔH_f, kcal/mol:	15.0
Dipole, Da:	4.94
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-5-(1,3-benzothiazol-2-yl)-3-[(2E)-3-(diethylamino)penta-2,4-dienylidene]-6-oxopyran-4-yl]phosphonic acid

Drug info:

PubChemData

Smile

CN(C)CCCNC(C1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=CC=C3)O

DOS

IR

Vibrations