Geometry & MOs

Info

ID:	371521
PubChem CID:	127346788
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-54.29
Dipole, Da:	10.1
IP(EA), eV:	-9.46(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCCC(=O)N2C3CCC2C4=CC=CC=C34

DOS

IR

Vibrations