Geometry & MOs

Info

ID:	400874
PubChem CID:	135049310
Reduced:	BNCl3C6H14 (1)
Stoich.:	ABC3D6E14 (1)
Weight, g/mol:	377.192902
ΔH_f, kcal/mol:	-133.89
Dipole, Da:	8.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767316
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-3-[(Z)-2-chloro-1-dibutylboranyloxyethenyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

[B-](N(C(C)C)C(C)C)(Cl)(Cl)Cl

DOS

IR

Vibrations