Geometry & MOs

Info

ID:	176503
PubChem CID:	76061774
Reduced:	NPO6C30H36 (1)
Stoich.:	ABC6D30E36 (1)
Weight, g/mol:	564.163473
ΔH_f, kcal/mol:	-272.24
Dipole, Da:	5.15
IP(EA), eV:	-9.3(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[6-[4-benzoyl-7-(2-carbamoylphenyl)-1-hydroxy-5-oxoheptyl]-2,3,4,5-tetrahydroxyoxan-2-yl]-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

CCOP(=O)(CCCC1=CC=CC=C1)OC(CC2=CC=CC=C2)C(=O)NCCC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations