Geometry & MOs

Info

ID:	280165
PubChem CID:	103847307
Reduced:	O2S2N5C9H9 (1)
Stoich.:	A2B2C5D9E9 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	28.24
Dipole, Da:	8.89
IP(EA), eV:	-9.21(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-methyloxolan-3-yl)sulfanylpropoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1=NC=C(S1)S(=O)(=O)NC2=NN(C=C2C#N)C

DOS

IR

Vibrations