Geometry & MOs

Info

ID:	400672
PubChem CID:	135048688
Reduced:	BNO5C18H24 (1)
Stoich.:	ABC5D18E24 (1)
Weight, g/mol:	292.18459
ΔH_f, kcal/mol:	-242.55
Dipole, Da:	7.72
IP(EA), eV:	-8.85(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-2,4-dimethoxy-3-[(2S,3R)-3-methoxy-2-methyl-3-phenylpropyl]oxaborolane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations