Geometry & MOs

Info

ID:	247959
PubChem CID:	103077759
Reduced:	BrClFSN2O3C12H15 (1)
Stoich.:	ABCDE2F3G12H15 (1)
Weight, g/mol:	397.98667
ΔH_f, kcal/mol:	-137.9
Dipole, Da:	2.48
IP(EA), eV:	-9.27(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-chloro-5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-6-fluoroaniline

Drug info:

PubChemData

Smile

CC(=C)COCCNS(=O)(=O)C1=CC(=C(C(=C1F)N)Br)Cl

DOS

IR

Vibrations