Geometry & MOs

Info

ID:

179654

PubChem CID:

76517737

Reduced:

SeN3O4H20C23 (1)

Stoich.:

AB3C4D20E23 (1)

Weight, g/mol:

332.141245

ΔHf, kcal/mol:

26.05

Dipole, Da:

7.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.966514

Charge, e:

 0

Chem-info

IUPAC name:

(2-hydroxy-1,2-diphenylethyl) 3-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=NC2=CC=C(C=C2)[N+](=O)[O-])[Se])NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations