Geometry & MOs

Info

ID:	186559
PubChem CID:	77445355
Reduced:	NSO2C27H31 (1)
Stoich.:	ABC2D27E31 (1)
Weight, g/mol:	231.067762
ΔH_f, kcal/mol:	-13.12
Dipole, Da:	2.79
IP(EA), eV:	-8.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,6-dihydropyrimidin-2-one

Drug info:

PubChemData

Smile

CCC=C(C1=CC=CC=C1C=CCC2CCOCC2)C(=O)C3=CC4=C(N3CC)SC=C4

DOS

IR

Vibrations