Geometry & MOs

Info

ID:	16387
PubChem CID:	466389
Reduced:	IF2N3O4C9H10 (1)
Stoich.:	AB2C3D4E9F10 (1)
Weight, g/mol:	388.96841
ΔH_f, kcal/mol:	-228.04
Dipole, Da:	6.52
IP(EA), eV:	-9.69(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations