Geometry & MOs

Info

ID:	80451
PubChem CID:	49834528
Reduced:	ClSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	243.067762
ΔH_f, kcal/mol:	-46.6
Dipole, Da:	9.65
IP(EA), eV:	-9.07(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-methylthiolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCN1CC2=C(C1=O)C=CC=C2N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CN(C=N4)C

DOS

IR

Vibrations