Geometry & MOs

Info

ID:	288343
PubChem CID:	104315154
Reduced:	Br2F2N2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	441.97482
ΔH_f, kcal/mol:	-42.92
Dipole, Da:	1.53
IP(EA), eV:	-8.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=C(C=CC(=C1)F)F)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations