Geometry & MOs

Info

ID:	337514
PubChem CID:	127258137
Reduced:	PF3O3C26H34 (1)
Stoich.:	AB3C3D26E34 (1)
Weight, g/mol:	422.201082
ΔH_f, kcal/mol:	-371.19
Dipole, Da:	3.35
IP(EA), eV:	-9.43(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxynaphthalene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations