Geometry & MOs

Info

ID:	132962
PubChem CID:	51453912
Reduced:	SO4N5C22H33 (1)
Stoich.:	AB4C5D22E33 (1)
Weight, g/mol:	402.185138
ΔH_f, kcal/mol:	-136.03
Dipole, Da:	4.52
IP(EA), eV:	-9.23(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-3-cyclopentyl-6-oxopyrimidin-4-olate

Drug info:

PubChemData

Smile

COC1CCCCC1N2C(=O)C3CCCCC3N4C2=NN=C4SCC(=O)N5CCOCC5

DOS

IR

Vibrations