Geometry & MOs

Info

ID:	328509
PubChem CID:	126723728
Reduced:	F2P3N5C11O13H16 (1)
Stoich.:	A2B3C5D11E13F16 (1)
Weight, g/mol:	271.116821
ΔH_f, kcal/mol:	-787.93
Dipole, Da:	10.31
IP(EA), eV:	-9.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@](O3)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CF)O)F)NC(=NC2=O)N

DOS

IR

Vibrations