Geometry & MOs

Info

ID:	337489
PubChem CID:	127258112
Reduced:	NPO5C22H28 (1)
Stoich.:	ABC5D22E28 (1)
Weight, g/mol:	500.305547
ΔH_f, kcal/mol:	-176.15
Dipole, Da:	7.89
IP(EA), eV:	-9.73(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxyphenol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=CC=CC=C2)OC3=CC=CC(=C3)[N+](=O)[O-])C(C)C

DOS

IR

Vibrations