Geometry & MOs

Info

ID:	31200
PubChem CID:	855141
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-4.7
Dipole, Da:	9.52
IP(EA), eV:	-8.53(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[(6-ethyl-5-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OCC)C3CC3

DOS

IR

Vibrations