Geometry & MOs

Info

ID:	336548
PubChem CID:	127255555
Reduced:	BFNO4C20H22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	371.170417
ΔH_f, kcal/mol:	-228.18
Dipole, Da:	3.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765319
Charge, e:	0

Chem-info

IUPAC name:

benzyl-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamic acid

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N(CC3=CC=CC=C3)C(=O)[O-])F

DOS

IR

Vibrations