Geometry & MOs

Info

ID:	13942
PubChem CID:	400314
Reduced:	SCl2O2N3H13C22 (1)
Stoich.:	AB2C2D3E13F22 (1)
Weight, g/mol:	453.010553
ΔH_f, kcal/mol:	54.36
Dipole, Da:	2.52
IP(EA), eV:	-9.14(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,6-dichloro-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CCC3=CC=CO3)C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl

DOS

IR

Vibrations