Geometry & MOs

Info

ID:	52922
PubChem CID:	14709212
Reduced:	B2F2N2O4C35H36 (1)
Stoich.:	A2B2C2D4E35F36 (1)
Weight, g/mol:	486.198526
ΔH_f, kcal/mol:	-236.81
Dipole, Da:	2.08
IP(EA), eV:	-8.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,8S,13R,17S)-6,15-bis(4-fluorophenyl)-9,9,18,18-tetramethyl-5,7,14,16-tetraoxa-6,15-diborapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,10-triene

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

B1(O[C@H]2[C@@H](O1)C(C3=CC4=C(C=C23)C([C@H]5[C@@H]4OB(O5)C6=CC=C(C=C6)F)(C)C)(C)C)C7=CC=C(C=C7)F.CN(C)C1=CC=NC=C1

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

B1(O[C@H]2[C@@H](O1)C(C3=CC4=C(C=C23)C([C@H]5[C@@H]4OB(O5)C6=CC=C(C=C6)F)(C)C)(C)C)C7=CC=C(C=C7)F.CN(C)C1=CC=NC=C1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):