Geometry & MOs

Info

ID:	337474
PubChem CID:	127258097
Reduced:	PO4C24H33 (1)
Stoich.:	AB4C24D33 (1)
Weight, g/mol:	540.242947
ΔH_f, kcal/mol:	-223.36
Dipole, Da:	5.43
IP(EA), eV:	-8.45(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-2,5-diphenylbenzene-1,4-diol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=CC=CC=C2)C3=C(C(=CC(=C3C)O)C)O)C(C)C

DOS

IR

Vibrations