Geometry & MOs

Info

ID:	442042
PubChem CID:	135248349
Reduced:	ClON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	182.007137
ΔH_f, kcal/mol:	36.86
Dipole, Da:	4.63
IP(EA), eV:	-8.94(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyldithiolane 1,1,2-trioxide

Drug info:

PubChemData

Smile

C1C=CC(=CC=C1O)C2=CN=CN2CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations