Geometry & MOs

Info

ID:	165400
PubChem CID:	74545598
Reduced:	NBr2O2S2C14H16 (1)
Stoich.:	AB2C2D2E14F16 (1)
Weight, g/mol:	378.108996
ΔH_f, kcal/mol:	-8.06
Dipole, Da:	15.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781684
Charge, e:	-1

Chem-info

IUPAC name:

5-[(4-nitrophenyl)methylidene]-2,6-dioxo-1-(2,4,6-trimethylphenyl)pyrimidin-4-olate

Drug info:

PubChemData

Smile

CCN(CC)C(=S)SC(C)C(=O)C1=C(C(=CC(=C1)Br)Br)[O-]

DOS

IR

Vibrations