Geometry & MOs

Info

ID:	12329
PubChem CID:	135112
Reduced:	PO12H27C30 (1)
Stoich.:	AB12C27D30 (1)
Weight, g/mol:	610.124013
ΔH_f, kcal/mol:	-507.98
Dipole, Da:	2.6
IP(EA), eV:	-9.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[4-[3-oxo-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)OP(=O)(O)OC3=CC=C(C=C3)CCC(=O)C4=C(C=C(C=C4O)O)O

DOS

IR

Vibrations