Geometry & MOs

Info

ID:	16979
PubChem CID:	481526
Reduced:	IN3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	376.98725
ΔH_f, kcal/mol:	-75.71
Dipole, Da:	2.96
IP(EA), eV:	-9.51(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#C[C@]1([C@H](C[C@@H](O1)N2C=C(C(=NC2=O)N)I)O)CO

DOS

IR

Vibrations