Geometry & MOs

Info

ID:	231569
PubChem CID:	87574155
Reduced:	SO2N6C20H22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	314.018508
ΔH_f, kcal/mol:	29.44
Dipole, Da:	4.22
IP(EA), eV:	-8.66(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-bis(2,2,2-trifluoroacetyl)phenyl]boronic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=NC(=C(C=C2)N3C=C(N=C3)C)OC

DOS

IR

Vibrations