Geometry & MOs

Info

ID:	46202
PubChem CID:	10523091
Reduced:	BrN2O5H13C14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	369.128448
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	3.83
IP(EA), eV:	-9.94(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyacetate

Drug info:

PubChemData

Smile

COC(=O)C1=C(NC(=O)CC1C2=CC=CC=C2[N+](=O)[O-])CBr

DOS

IR

Vibrations