Geometry & MOs

Info

ID:	404403
PubChem CID:	135066168
Reduced:	PO3F4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	458.237467
ΔH_f, kcal/mol:	-328.15
Dipole, Da:	4.64
IP(EA), eV:	-9.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)P(=O)(C1=C(C=CC(=C1F)F)O)OC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations