Geometry & MOs

Info

ID:	45727
PubChem CID:	10517061
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	283.07391
ΔH_f, kcal/mol:	-70.59
Dipole, Da:	1.25
IP(EA), eV:	-8.83(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CN(CCN1C2=CC=CC=C2Cl)C

DOS

IR

Vibrations