Geometry & MOs

Info

ID:	274317
PubChem CID:	103808533
Reduced:	BrFOSN3H9C11 (1)
Stoich.:	ABCDE3F9G11 (1)
Weight, g/mol:	302.043
ΔH_f, kcal/mol:	-28.8
Dipole, Da:	3.18
IP(EA), eV:	-9.27(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-bromo-5-fluorophenyl)-2-methylpentanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)NC(=O)C2=CSC(=N2)CN)Br

DOS

IR

Vibrations