Geometry & MOs

Info

ID:	337478
PubChem CID:	127258101
Reduced:	PO4C35H39 (1)
Stoich.:	AB4C35D39 (1)
Weight, g/mol:	428.211647
ΔH_f, kcal/mol:	-164.28
Dipole, Da:	5.37
IP(EA), eV:	-8.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethenylphenyl)methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene-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(=C3C4=CC=CC=C4)O)C5=CC=CC=C5)O)C(C)C

DOS

IR

Vibrations