Geometry & MOs

Info

ID:	47888
PubChem CID:	10535743
Reduced:	O3C11H12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	192.056863
ΔH_f, kcal/mol:	-58.53
Dipole, Da:	2.13
IP(EA), eV:	-8.74(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S,6R)-6-(hydroxymethyl)-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidine-4,5-diol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@H]3[C@H](O3)CO2

DOS

IR

Vibrations