Geometry & MOs

Info

ID:	410591
PubChem CID:	135083391
Reduced:	OPC20H34 (2)
Stoich.:	ABC20D34 (2)
Weight, g/mol:	550.37047
ΔH_f, kcal/mol:	-243.13
Dipole, Da:	7.03
IP(EA), eV:	-8.92(2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-2,3-bis(dicyclohexylphosphorylmethyl)-7-oxabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1CCC(CC1)P(=O)([C@@H]2[C@H](C3C4CCCCC4C2C5C3CCCC5)P(=O)(C6CCCCC6)C7CCCCC7)C8CCCCC8

DOS

IR

Vibrations