Geometry & MOs

Info

ID:	53671
PubChem CID:	14717711
Reduced:	NNaSC6H6O7 (1)
Stoich.:	ABCD6E6F7 (1)
Weight, g/mol:	206.105528
ΔH_f, kcal/mol:	-324.98
Dipole, Da:	8.73
IP(EA), eV:	-10.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-3-hydroxypropyl)-1H-indol-5-ol

Drug info:

PubChemData

Smile

CC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations