Geometry & MOs

Info

ID:	124085
PubChem CID:	50872051
Reduced:	ClN2S2O5H17C24 (1)
Stoich.:	AB2C2D5E17F24 (1)
Weight, g/mol:	465.88092
ΔH_f, kcal/mol:	-3.41
Dipole, Da:	6.62
IP(EA), eV:	-8.94(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dibromo-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations