Geometry & MOs

Info

ID:	275479
PubChem CID:	103816406
Reduced:	BrOSCl2N2H9C13 (1)
Stoich.:	ABCD2E2F9G13 (1)
Weight, g/mol:	335.96987
ΔH_f, kcal/mol:	11.2
Dipole, Da:	5.69
IP(EA), eV:	-9.11(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-6-chloropyridin-3-yl)-2-tert-butylsulfanylacetamide

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=CC(=C(N=C2)Cl)Br

DOS

IR

Vibrations