Geometry & MOs

Info

ID:	229742
PubChem CID:	87568756
Reduced:	P3C4H13O13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	465.244644
ΔH_f, kcal/mol:	-766.9
Dipole, Da:	3.21
IP(EA), eV:	-10.97(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-methylpropan-2-yl)oxycarbonylamino] 4-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C([C@H]([C@@H](COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O

DOS

IR

Vibrations