Geometry & MOs

Info

ID:	173491
PubChem CID:	75644022
Reduced:	SN4O5C18H21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	321.024184
ΔH_f, kcal/mol:	-48.4
Dipole, Da:	6.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.101855
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-7-hydroxy-5-oxo-7aH-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)C=NNS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[O-]

DOS

IR

Vibrations