Geometry & MOs

Info

ID:	414234
PubChem CID:	135087190
Reduced:	NOS2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	498.095096
ΔH_f, kcal/mol:	-8.75
Dipole, Da:	1.21
IP(EA), eV:	-8.75(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(5'-chloro-2'-oxospiro[1,3-dithiane-2,3'-indole]-1'-yl)pentyl]-3-diazonioindol-2-olate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3(C1=O)SCCS3

DOS

IR

Vibrations