Geometry & MOs

Info

ID:	384111
PubChem CID:	134976354
Reduced:	NSO3C8H12 (2)
Stoich.:	ABC3D8E12 (2)
Weight, g/mol:	257.92928
ΔH_f, kcal/mol:	-158.29
Dipole, Da:	1.73
IP(EA), eV:	-7.53(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)disulfanyl]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C[N+](C)(C)C.C[N+](C)(C)C.C1(=C(C(=O)C1=O)SSC2=C(C(=O)C2=O)[O-])[O-]

DOS

IR

Vibrations