Geometry & MOs

Info

ID:	139303
PubChem CID:	52507076
Reduced:	SO2N5C15H24 (1)
Stoich.:	AB2C5D15E24 (1)
Weight, g/mol:	350.13789
ΔH_f, kcal/mol:	6.94
Dipole, Da:	9.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758690
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]phenoxy]benzonitrile

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](C[NH+](C1)C[C@@H](C)NC2=C(N3C=CSC3=N2)[N+](=O)[O-])C

DOS

IR

Vibrations