Geometry & MOs

Info

ID:	205669
PubChem CID:	80132348
Reduced:	BrClN2S2O3C12H14 (1)
Stoich.:	ABC2D2E3F12G14 (1)
Weight, g/mol:	276.99138
ΔH_f, kcal/mol:	-43.56
Dipole, Da:	3.84
IP(EA), eV:	-8.96(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,6-difluoro-N-propylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(CNS(=O)(=O)C1=CC(=C(S1)Br)Cl)C2=CC=CO2

DOS

IR

Vibrations