Geometry & MOs

Info

ID:	337477
PubChem CID:	127258100
Reduced:	PO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	554.258597
ΔH_f, kcal/mol:	-213.18
Dipole, Da:	5.59
IP(EA), eV:	-8.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(CC2=CC=CC=C2)C3=C(C=CC(=C3)O)O)C(C)C

DOS

IR

Vibrations