Geometry & MOs

Info

ID:	184543
PubChem CID:	77174803
Reduced:	ClSN2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	326.072513
ΔH_f, kcal/mol:	-70.61
Dipole, Da:	3.45
IP(EA), eV:	-8.65(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-oxopropylamino)thieno[3,2-b]pyridin-7-yl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=CC(=NC3=C2SC=C3)NCCC=O.Cl

DOS

IR

Vibrations