Geometry & MOs

Info

ID:	89892
PubChem CID:	49965280
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	424.946239
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	8.42
IP(EA), eV:	-9.35(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CCCCN(CC)C1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

DOS

IR

Vibrations