Geometry & MOs

Info

ID:	403257
PubChem CID:	135059400
Reduced:	B2Cl2N2O4C21H32 (1)
Stoich.:	A2B2C2D4E21F32 (1)
Weight, g/mol:	513.134621
ΔH_f, kcal/mol:	-316.79
Dipole, Da:	6.35
IP(EA), eV:	-8.53(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2Cl)Cl)B3OC(C(O3)(C)C)(C)C)/C=N/N(C)C

DOS

IR

Vibrations