Geometry & MOs

Info

ID:	162492
PubChem CID:	57394853
Reduced:	FSN2O3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	314.110042
ΔH_f, kcal/mol:	-161.89
Dipole, Da:	5.79
IP(EA), eV:	-9.57(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylazepan-4-yl)-4-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H]1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations