Geometry & MOs

Info

ID:	125149
PubChem CID:	50911691
Reduced:	ZnN4S4C14H28 (1)
Stoich.:	AB4C4D14E28 (1)
Weight, g/mol:	587.128711
ΔH_f, kcal/mol:	77.12
Dipole, Da:	8.73
IP(EA), eV:	-8.47(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

butyl(ethyl)carbamodithioic acid;iron(3+)

Drug info:

PubChemData

Smile

CCCC(=NNC(=S)SC)C.CCCC(=NNC(=S)SC)C.[Zn]

DOS

IR

Vibrations