Geometry & MOs

Info

ID:	8783
PubChem CID:	81418
Reduced:	ClOSN3C5H10 (2)
Stoich.:	ABCD3E5F10 (2)
Weight, g/mol:	390.046622
ΔH_f, kcal/mol:	-121.35
Dipole, Da:	1.89
IP(EA), eV:	-9.42(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-carbamimidoylsulfanylethyl)-3,6-dioxopiperazin-2-yl]ethyl carbamimidothioate;dihydrochloride

Drug info:

PubChemData

Smile

C(CSC(=N)N)C1C(=O)NC(C(=O)N1)CCSC(=N)N.Cl.Cl

DOS

IR

Vibrations