Geometry & MOs

Info

ID:	336547
PubChem CID:	127255554
Reduced:	FN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	370.162592
ΔH_f, kcal/mol:	-131.89
Dipole, Da:	4.05
IP(EA), eV:	-9.54(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations