Geometry & MOs

Info

ID:	52897
PubChem CID:	14709163
Reduced:	ON2H8C10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	340.109293
ΔH_f, kcal/mol:	55.6
Dipole, Da:	5.92
IP(EA), eV:	-10.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1[C@H](N1C(=O)C2=CC=CC=C2)C#N

DOS

IR

Vibrations