Geometry & MOs

Info

ID:	89911
PubChem CID:	49965336
Reduced:	SO2N3H5C6 (2)
Stoich.:	AB2C3D5E6 (2)
Weight, g/mol:	461.144299
ΔH_f, kcal/mol:	-67.35
Dipole, Da:	10.09
IP(EA), eV:	-9.11(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]sulfanyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=C(NC2=C(C1=O)SC(=C2C(=O)N)SCC(=O)NC3=NC=NN3)O

DOS

IR

Vibrations