Geometry & MOs

Info

ID:	247875
PubChem CID:	103077227
Reduced:	BrClFSN2O2C13H17 (1)
Stoich.:	ABCDE2F2G13H17 (1)
Weight, g/mol:	392.93497
ΔH_f, kcal/mol:	-117.34
Dipole, Da:	3.69
IP(EA), eV:	-9.21(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-5-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCCN(CCC1)S(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations