Geometry & MOs

Info

ID:	26450
PubChem CID:	648638
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	364.084141
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	3.66
IP(EA), eV:	-8.82(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1CC2=CC=CO2)SCC(=O)N3CCOCC3

DOS

IR

Vibrations