Geometry & MOs

Info

ID:	414235
PubChem CID:	135087191
Reduced:	ClO2S2N4H23C24 (1)
Stoich.:	AB2C2D4E23F24 (1)
Weight, g/mol:	499.102921
ΔH_f, kcal/mol:	6.65
Dipole, Da:	5.57
IP(EA), eV:	-8.63(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC2(C3=C(C=CC(=C3)Cl)N(C2=O)CCCCCN4C5=CC=CC=C5C(=C4[O-])[N+]#N)SC1

DOS

IR

Vibrations