Geometry & MOs

Info

ID:	342633
PubChem CID:	127265793
Reduced:	SO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	249.08235
ΔH_f, kcal/mol:	-44.9
Dipole, Da:	3.14
IP(EA), eV:	-8.37(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-phenylprop-2-enylsulfonyl)butanenitrile

Drug info:

PubChemData

Smile

CC=CCS(=O)CCC1=CC=C(C=C1)OC

DOS

IR

Vibrations