Geometry & MOs

Info

ID:	83932
PubChem CID:	49862628
Reduced:	ClFSN2O2C20H24 (1)
Stoich.:	ABCD2E2F20G24 (1)
Weight, g/mol:	376.162077
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	4.8
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)-2-phenylethyl]-4-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3

DOS

IR

Vibrations