Geometry & MOs

Info

ID:	55810
PubChem CID:	17396599
Reduced:	BrO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	356.083078
ΔH_f, kcal/mol:	27.26
Dipole, Da:	3.52
IP(EA), eV:	-9.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-oxo-1H-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CC=C(O2)Br)CN3C=CC=N3

DOS

IR

Vibrations