Geometry & MOs

Info

ID:	247919
PubChem CID:	103077499
Reduced:	BrClFSN2O2C13H19 (1)
Stoich.:	ABCDE2F2G13H19 (1)
Weight, g/mol:	397.98667
ΔH_f, kcal/mol:	-132.88
Dipole, Da:	4.16
IP(EA), eV:	-9.19(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-6-fluoroaniline

Drug info:

PubChemData

Smile

CCC(CC)C(C)NS(=O)(=O)C1=CC(=C(C(=C1F)N)Br)Cl

DOS

IR

Vibrations