Geometry & MOs

Info

ID:	337526
PubChem CID:	127258149
Reduced:	PO3C26H37 (1)
Stoich.:	AB3C26D37 (1)
Weight, g/mol:	428.248032
ΔH_f, kcal/mol:	-191.74
Dipole, Da:	4.67
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]phenol

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C=C1)O)P(=O)(C2=CC=CC=C2)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C

DOS

IR

Vibrations