Geometry & MOs

Info

ID:	382533
PubChem CID:	134973755
Reduced:	NO8H25C30 (1)
Stoich.:	AB8C25D30 (1)
Weight, g/mol:	295.091669
ΔH_f, kcal/mol:	-206.22
Dipole, Da:	5.71
IP(EA), eV:	-8.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5R)-5-(4-amino-5-nitropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CN3C(=C(C4=C3C(=O)OC5=CC(=C(C=C54)OC)OC)C6=CC=C(C=C6)OC)C(=O)O2

DOS

IR

Vibrations