Geometry & MOs

Info

ID:	400769
PubChem CID:	135049029
Reduced:	BNO3C26H34 (1)
Stoich.:	ABC3D26E34 (1)
Weight, g/mol:	433.278824
ΔH_f, kcal/mol:	-139.73
Dipole, Da:	3.98
IP(EA), eV:	-8.68(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzyl-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

B(CCCC)(CCCC)O/C(=C\C1=CC=CC=C1)/N2[C@H](COC2=O)CC3=CC=CC=C3

DOS

IR

Vibrations