Geometry & MOs

Info

ID:	174708
PubChem CID:	75806483
Reduced:	SO2N3H4C6 (2)
Stoich.:	AB2C3D4E6 (2)
Weight, g/mol:	366.020495
ΔH_f, kcal/mol:	18.89
Dipole, Da:	1.15
IP(EA), eV:	-9.56(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-5-oxo-2-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]sulfanyl-7aH-thieno[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=C(C2C(=NC1=O)C(=C(S2)SCC(=NC3=NC=NN3)[O-])C(=O)N)[O-]

DOS

IR

Vibrations