Geometry & MOs

Info

ID:	443246
PubChem CID:	135258275
Reduced:	IN4O4C12H15 (1)
Stoich.:	AB4C4D12E15 (1)
Weight, g/mol:	344.01202
ΔH_f, kcal/mol:	-92.07
Dipole, Da:	3.7
IP(EA), eV:	-8.48(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R)-2-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

COC1=CC2=C(N=CN=C2N1[C@H]3C([C@H]([C@H](O3)CO)O)I)N

DOS

IR

Vibrations