Geometry & MOs

Info

ID:	276626
PubChem CID:	103824524
Reduced:	BrClN2O2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	306.94333
ΔH_f, kcal/mol:	-1.62
Dipole, Da:	1.3
IP(EA), eV:	-9.38(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-3-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)OCC(=O)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations