Geometry & MOs

Info

ID:	138151
PubChem CID:	52318410
Reduced:	SN3O3H11C14 (1)
Stoich.:	AB3C3D11E14 (1)
Weight, g/mol:	376.95955
ΔH_f, kcal/mol:	-59.14
Dipole, Da:	5.5
IP(EA), eV:	-8.35(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-[(3-bromophenyl)methylcarbamoyl]-5-oxo-4H-thieno[3,2-b]pyridin-7-olate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNC(=C2C(=O)C3=C(C=CS3)NC2=O)O

DOS

IR

Vibrations