Geometry & MOs

Info

ID:	44871
PubChem CID:	10506267
Reduced:	ClSO4C10H11 (2)
Stoich.:	ABC4D10E11 (2)
Weight, g/mol:	525.206896
ΔH_f, kcal/mol:	52.89
Dipole, Da:	19.32
IP(EA), eV:	-9.62(-3.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-(4-diphenylphosphanylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Drug info:

PubChemData

Smile

C1CCC[C@H]2[C@@H](CC1)[S+]3C4=CC=CC=C4[S+]2C5=CC=CC=C53.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations