Geometry & MOs

Info

ID:	82777
PubChem CID:	49856508
Reduced:	PO6C18H27 (1)
Stoich.:	AB6C18D27 (1)
Weight, g/mol:	498.255385
ΔH_f, kcal/mol:	-277.7
Dipole, Da:	2.22
IP(EA), eV:	-8.59(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-dimethoxyphosphoryl-1-[(2R,5R)-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolan-2-yl]ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCC[C@H]2CC[C@@H](O2)/C=C/P(=O)(OC)OC

DOS

IR

Vibrations