Geometry & MOs

Info

ID:	177345
PubChem CID:	76170368
Reduced:	O3N5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	364.93574
ΔH_f, kcal/mol:	16.83
Dipole, Da:	8.72
IP(EA), eV:	-8.74(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-4-hydroxy-6-oxo-3aH-thieno[2,3-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N(C(=O)C(=C1O)C(=O)C2NNNN2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations