Geometry & MOs

Info

ID:	247864
PubChem CID:	103077151
Reduced:	BrClFSN2O2C9H9 (1)
Stoich.:	ABCDE2F2G9H9 (1)
Weight, g/mol:	383.97102
ΔH_f, kcal/mol:	-84.88
Dipole, Da:	5.55
IP(EA), eV:	-9.28(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-chloro-6-fluoro-5-(3-methylpiperidin-1-yl)sulfonylaniline

Drug info:

PubChemData

Smile

C1CC1NS(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations