Geometry & MOs

Info

ID:	166176
PubChem CID:	74645550
Reduced:	N2O7C22H22 (1)
Stoich.:	A2B7C22D22 (1)
Weight, g/mol:	465.042429
ΔH_f, kcal/mol:	-154.19
Dipole, Da:	5.88
IP(EA), eV:	-8.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-(4-chlorophenyl)-5-cyano-2-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfanylpyrimidin-4-olate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CC(=O)OCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations