Geometry & MOs

Info

ID:	48508
PubChem CID:	10852036
Reduced:	SN2O4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	304.084141
ΔH_f, kcal/mol:	-82.58
Dipole, Da:	3.14
IP(EA), eV:	-9.37(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-methylsulfanyl-5-[[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]amino]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC2=CC=CC=C2S(=O)(=O)N3C1=CC=C3

DOS

IR

Vibrations