Geometry & MOs

Info

ID:	280016
PubChem CID:	103846366
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	265.077265
ΔH_f, kcal/mol:	-122.81
Dipole, Da:	7.61
IP(EA), eV:	-9.35(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(CCO1)S(=O)(=O)CC(=O)NC2=CC=CC(=C2)C#N

DOS

IR

Vibrations