Geometry & MOs

Info

ID:	15798
PubChem CID:	451375
Reduced:	IN3O3C9H12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	336.99234
ΔH_f, kcal/mol:	-95.36
Dipole, Da:	5.23
IP(EA), eV:	-9.67(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-iodooxolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)I

DOS

IR

Vibrations