Geometry & MOs

Info

ID:	159597
PubChem CID:	57288513
Reduced:	O5C23H32 (1)
Stoich.:	A5B23C32 (1)
Weight, g/mol:	302.111401
ΔH_f, kcal/mol:	-162.75
Dipole, Da:	4.84
IP(EA), eV:	-10.04(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-hydroxypropan-2-yl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CO[C@@]12CC[C@@H]([C@H]([C@@H]1CC2=CCCC(=O)O)C#CC(CC3C4C3CCC4)O)O

DOS

IR

Vibrations