Geometry & MOs

Info

ID:	272949
PubChem CID:	103768606
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	5.45
IP(EA), eV:	-9.85(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)S(=O)(=O)NC(C)C2CCOCC2

DOS

IR

Vibrations