Geometry & MOs

Info

ID:	277500
PubChem CID:	103829024
Reduced:	BrFSN2O2C13H20 (1)
Stoich.:	ABCD2E2F13G20 (1)
Weight, g/mol:	364.02564
ΔH_f, kcal/mol:	-121.13
Dipole, Da:	2.91
IP(EA), eV:	-9.48(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CC(C)(CN)NS(=O)(=O)C1=CC(=C(C=C1)Br)F

DOS

IR

Vibrations