Geometry & MOs

Info

ID:	266911
PubChem CID:	103580028
Reduced:	BrClN2O2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	340.96004
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	3.97
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromo-3-chloropyridin-2-yl)amino]propyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC12OCCO2)C3=C(C=C(C=N3)Br)Cl

DOS

IR

Vibrations