Geometry & MOs

Info

ID:	443237
PubChem CID:	135258253
Reduced:	N4O4C15H20 (1)
Stoich.:	A4B4C15D20 (1)
Weight, g/mol:	344.01202
ΔH_f, kcal/mol:	-117.62
Dipole, Da:	2.5
IP(EA), eV:	-8.4(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-2-(4-amino-6-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CC(C1)NC2=NC=CC3=C2N=CN3C4C(C(C(O4)CO)O)O

DOS

IR

Vibrations