Geometry & MOs

Info

ID:	11834
PubChem CID:	121698
Reduced:	N2O7C10H14 (1)
Stoich.:	A2B7C10D14 (1)
Weight, g/mol:	274.080101
ΔH_f, kcal/mol:	-299.61
Dipole, Da:	2.21
IP(EA), eV:	-10.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CO

DOS

IR

Vibrations