Geometry & MOs

Info

ID:	173983
PubChem CID:	75708346
Reduced:	ClN2O2C27H43 (1)
Stoich.:	AB2C2D27E43 (1)
Weight, g/mol:	432.118201
ΔH_f, kcal/mol:	-144.76
Dipole, Da:	5.79
IP(EA), eV:	-9.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=C(C=C1)Cl)C(=O)NCCCC)C(=O)CCC2CCCCC2

DOS

IR

Vibrations