Geometry & MOs

Info

ID:	54684
PubChem CID:	17389095
Reduced:	BrSO3H8C12 (2)
Stoich.:	ABC3D8E12 (2)
Weight, g/mol:	371.093977
ΔH_f, kcal/mol:	-131.05
Dipole, Da:	0.16
IP(EA), eV:	-9.29(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)Br)S(=O)(=O)OC4=CC=C(C=C4)Br

DOS

IR

Vibrations