Geometry & MOs

Info

ID:	308475
PubChem CID:	125333192
Reduced:	ON5C6H15 (1)
Stoich.:	AB5C6D15 (1)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	-26.48
Dipole, Da:	2.75
IP(EA), eV:	-8.98(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 3-[(5R)-4-methyl-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl]propanoate

Drug info:

PubChemData

Smile

C1COCCN1[C@@H](N)N=C(N)N

DOS

IR

Vibrations