Geometry & MOs

Info

ID:	191450
PubChem CID:	78148259
Reduced:	BrNS2O3H20C25 (1)
Stoich.:	ABC2D3E20F25 (1)
Weight, g/mol:	295.070128
ΔH_f, kcal/mol:	-26.49
Dipole, Da:	5.6
IP(EA), eV:	-8.52(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-methylpentanoate;trifluoromethanesulfonic acid

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3=C1SC(C4C3C5=C(C=CC(=C5)Br)OS4(=O)=O)C6=CC=CC=C6

DOS

IR

Vibrations