Geometry & MOs

Info

ID:	173436
PubChem CID:	75637856
Reduced:	NO2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	450.044593
ΔH_f, kcal/mol:	12.33
Dipole, Da:	2.57
IP(EA), eV:	-9.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate

Drug info:

PubChemData

Smile

C1=CC(N=C1)C(=O)C2=CC=CO2

DOS

IR

Vibrations