Geometry & MOs

Info

ID:	405381
PubChem CID:	135073711
Reduced:	BrNSO6H24C28 (1)
Stoich.:	ABCD6E24F28 (1)
Weight, g/mol:	322.21041
ΔH_f, kcal/mol:	-100.54
Dipole, Da:	7.53
IP(EA), eV:	-9.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1,3-diphenylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C(C#CC2=CC=CC=C2)C3=CC=CC=C3Br)/C(=C/C(=O)OC)/C(=O)OC

DOS

IR

Vibrations