Geometry & MOs

Info

ID:	202749
PubChem CID:	79719689
Reduced:	FSO3N4C11H13 (1)
Stoich.:	ABC3D4E11F13 (1)
Weight, g/mol:	341.11028
ΔH_f, kcal/mol:	-70.88
Dipole, Da:	6.94
IP(EA), eV:	-10.49(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCC(C1=NC(=NO1)C2=NC=C(C=C2)F)N

DOS

IR

Vibrations