Geometry & MOs

Info

ID:	307284
PubChem CID:	125299338
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	291.067762
ΔH_f, kcal/mol:	-28.75
Dipole, Da:	3.72
IP(EA), eV:	-8.45(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5S)-2,6-dioxo-5H-pyrimidin-5-yl]-2-(4-methylphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=NN2C(=O)[C@@H]1CCC(C)C)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations