Geometry & MOs

Info

ID:	247910
PubChem CID:	103077455
Reduced:	BrClFSO2N3C11H16 (1)
Stoich.:	ABCDE2F3G11H16 (1)
Weight, g/mol:	397.98667
ΔH_f, kcal/mol:	-106.43
Dipole, Da:	6.03
IP(EA), eV:	-8.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-chloro-5-(4,4-dimethylpiperidin-1-yl)sulfonyl-6-fluoroaniline

Drug info:

PubChemData

Smile

CCN(C)CCNS(=O)(=O)C1=CC(=C(C(=C1F)N)Br)Cl

DOS

IR

Vibrations