Geometry & MOs

Info

ID:	46153
PubChem CID:	10522572
Reduced:	SeO3C18H18 (1)
Stoich.:	AB3C18D18 (1)
Weight, g/mol:	360.05071
ΔH_f, kcal/mol:	-75.2
Dipole, Da:	3.55
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-4-bromobenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)[C@H]1[C@@H](CO[C@H]1C2=CC=CC=C2)[Se]C3=CC=CC=C3

DOS

IR

Vibrations