Geometry & MOs

Info

ID:	395138
PubChem CID:	135024728
Reduced:	BFNO3C20H23 (1)
Stoich.:	ABCD3E20F23 (1)
Weight, g/mol:	415.09544
ΔH_f, kcal/mol:	-217.1
Dipole, Da:	6.56
IP(EA), eV:	-9.45(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(4-bromophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)[C@H](C2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations