Geometry & MOs

Info

ID:	400768
PubChem CID:	135049028
Reduced:	BO2C25H41 (1)
Stoich.:	AB2C25D41 (1)
Weight, g/mol:	419.263174
ΔH_f, kcal/mol:	-111.76
Dipole, Da:	3.21
IP(EA), eV:	-9.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B(/C=C/C(=O)OCC)(C1C[C@@H]2C[C@H](C1C)C2(C)C)C3C[C@@H]4C[C@H](C3C)C4(C)C

DOS

IR

Vibrations