Geometry & MOs

Info

ID:	401986
PubChem CID:	135053702
Reduced:	SO2F3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	409.337676
ΔH_f, kcal/mol:	-163.63
Dipole, Da:	4.28
IP(EA), eV:	-9.66(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1,3-bis[di(propan-2-yl)amino]-1,3,2-diazaborolidin-2-yl]-2-methyl-3-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations