Geometry & MOs

Info

ID:	9327
PubChem CID:	88000
Reduced:	N3O8C10H15 (1)
Stoich.:	A3B8C10D15 (1)
Weight, g/mol:	305.085914
ΔH_f, kcal/mol:	-333.19
Dipole, Da:	5.8
IP(EA), eV:	-9.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(NC(=O)NC2=O)N)O)O)O)O

DOS

IR

Vibrations