Geometry & MOs

Info

ID:	13811
PubChem CID:	398546
Reduced:	FN4O6C9H11 (1)
Stoich.:	AB4C6D9E11 (1)
Weight, g/mol:	290.066262
ΔH_f, kcal/mol:	-187.39
Dipole, Da:	5.16
IP(EA), eV:	-10.77(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=NC(=C(N1C2C(C(C(O2)CO)F)O)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations