Geometry & MOs

Info

ID:	1046
PubChem CID:	3708
Reduced:	SN2O5H10C16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	342.031043
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	6.33
IP(EA), eV:	-8.94(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)S(=O)(=O)O)O

DOS

IR

Vibrations