Geometry & MOs

Info

ID:	165859
PubChem CID:	74605824
Reduced:	N2Cl3O5H10C18 (1)
Stoich.:	A2B3C5D10E18 (1)
Weight, g/mol:	418.033839
ΔH_f, kcal/mol:	-132.2
Dipole, Da:	3.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.048537
Charge, e:	-1

Chem-info

IUPAC name:

5-[[3-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl)[O-]

DOS

IR

Vibrations