Geometry & MOs

Info

ID:	13940
PubChem CID:	400297
Reduced:	SN3O4H23C31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	533.140927
ΔH_f, kcal/mol:	23.62
Dipole, Da:	0.93
IP(EA), eV:	-8.01(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC(=CC=C4)OC5=CC=CC=C5)C3=O)C6=CC=CC=C6

DOS

IR

Vibrations