Geometry & MOs

Info

ID:	228866
PubChem CID:	87566010
Reduced:	O2N4S6C19H28 (1)
Stoich.:	A2B4C6D19E28 (1)
Weight, g/mol:	266.053886
ΔH_f, kcal/mol:	-63.65
Dipole, Da:	6.11
IP(EA), eV:	-8.27(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dioxopyrrolidin-1-yl)-6-nitrocyclohexa-2,4-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CSSC1CCCCC(=O)N(C2=NC(=S)NC(=S)N2)C(=O)CCCCC3CCSS3

DOS

IR

Vibrations