Geometry & MOs

Info

ID:	1044
PubChem CID:	3705
Reduced:	NSO4H5C8 (2)
Stoich.:	ABC4D5E8 (2)
Weight, g/mol:	421.987858
ΔH_f, kcal/mol:	-215.07
Dipole, Da:	0.52
IP(EA), eV:	-9.28(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-5-sulfo-1H-indol-2-yl)-3-oxoindole-5-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1S(=O)(=O)O)C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)O)O

DOS

IR

Vibrations