Geometry & MOs

Info

ID:	227828
PubChem CID:	87562609
Reduced:	S2O3N5C19H21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	342.154336
ΔH_f, kcal/mol:	-44.91
Dipole, Da:	5.71
IP(EA), eV:	-9.23(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

decane-1,1-dithiol;pentane-1,1-dithiol

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CN=C3)S(=O)(=O)NC4CCCNC4

DOS

IR

Vibrations