Geometry & MOs

Info

ID:	337513
PubChem CID:	127258136
Reduced:	PO3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	482.219766
ΔH_f, kcal/mol:	-148.85
Dipole, Da:	3.55
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-(2,4,6-trimethylphenyl)phosphoryl]-4-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3O)C(C)C

DOS

IR

Vibrations