Geometry & MOs

Info

ID:	262402
PubChem CID:	103291231
Reduced:	ClO2S2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	241.032813
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	4.1
IP(EA), eV:	-8.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methylsulfinyl]butanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=O)CS(=O)CC2=CC=CC=C2Cl

DOS

IR

Vibrations