Geometry & MOs

Info

ID:	12071
PubChem CID:	129644
Reduced:	N3O8C9H11 (1)
Stoich.:	A3B8C9D11 (1)
Weight, g/mol:	289.054614
ΔH_f, kcal/mol:	-248.86
Dipole, Da:	7.2
IP(EA), eV:	-10.93(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1C2[C@H]([C@@H]([C@H](O2)CO)O)O)[N+](=O)[O-]

DOS

IR

Vibrations