Geometry & MOs

Info

ID:	433116
PubChem CID:	135173253
Reduced:	ClNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	217.032813
ΔH_f, kcal/mol:	3.91
Dipole, Da:	5.09
IP(EA), eV:	-9.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(chloromethyl)phenyl]-ethyl-imino-oxo-lambda6-sulfane

Drug info:

PubChemData

Smile

C1CC(C1)S(=N)(=O)C2=CC=C(C=C2)CCl

DOS

IR

Vibrations