Geometry & MOs

Info

ID:	146294
PubChem CID:	53665375
Reduced:	SN3O5C31H33 (1)
Stoich.:	AB3C5D31E33 (1)
Weight, g/mol:	383.093977
ΔH_f, kcal/mol:	-125.61
Dipole, Da:	7.48
IP(EA), eV:	-9.5(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyanopentylcarbamoyloxy)thieno[2,3-b]quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1CC2CCCCC2C(N1)C(=O)[C@H](CC3=CC(=CC=C3)C#N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations