Geometry & MOs

Info

ID:	205666
PubChem CID:	80132207
Reduced:	BrClNS2O3C13H13 (1)
Stoich.:	ABCD2E3F13G13 (1)
Weight, g/mol:	305.02268
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	5.2
IP(EA), eV:	-9.47(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=CC=CC(=C1)CNS(=O)(=O)C2=CC(=C(S2)Br)Cl

DOS

IR

Vibrations