Geometry & MOs

Info

ID:	337475
PubChem CID:	127258098
Reduced:	PO4C34H37 (1)
Stoich.:	AB4C34D37 (1)
Weight, g/mol:	438.195996
ΔH_f, kcal/mol:	-163.13
Dipole, Da:	2.67
IP(EA), eV:	-8.23(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]naphthalene-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(=C3C4=CC=CC=C4)O)C5=CC=CC=C5)O)C(C)C

DOS

IR

Vibrations