Geometry & MOs

Info

ID:	354912
PubChem CID:	127287672
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	43.4
Dipole, Da:	8.01
IP(EA), eV:	-9.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-yl)-2-(4-oxo-1-propan-2-ylpyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=O)N=C1SCC2=NN=C(N2C)C3CC3

DOS

IR

Vibrations