Geometry & MOs

Info

ID:	384393
PubChem CID:	134976904
Reduced:	IPO5C46H46 (1)
Stoich.:	ABC5D46E46 (1)
Weight, g/mol:	471.136623
ΔH_f, kcal/mol:	-81.53
Dipole, Da:	7.18
IP(EA), eV:	-7.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[chloro(triphenyl)-lambda5-phosphanyl]ethoxycarbonylamino]acetate

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)I)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations