Geometry & MOs

Info

ID:	186836
PubChem CID:	77491403
Reduced:	SF3N5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	386.212536
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	5.15
IP(EA), eV:	-7.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-1-[2-[(1-oxido-3-phenylpyrazin-1-ium-2-carbonyl)amino]propylamino]butyl]boronic acid

Drug info:

PubChemData

Smile

CNC1CCN(C1)C2C3=C(C4=C(S3)C(=CC(=C4)C(F)(F)F)N)NCN2

DOS

IR

Vibrations