Geometry & MOs

Info

ID:	400671
PubChem CID:	135048687
Reduced:	BNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	345.174753
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	5.82
IP(EA), eV:	-8.77(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl acetate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)[C@H]2[C@@H](ON=C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations