Geometry & MOs

Info

ID:	272948
PubChem CID:	103768573
Reduced:	BrN2O2S2C11H11 (1)
Stoich.:	AB2C2D2E11F11 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-7.88
Dipole, Da:	4.63
IP(EA), eV:	-9.4(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-2-methyl-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCN(C1=CC=NC=C1)S(=O)(=O)C2=C(C=CS2)Br

DOS

IR

Vibrations