Geometry & MOs

Info

ID:	382591
PubChem CID:	134973849
Reduced:	NO2C20H33 (1)
Stoich.:	AB2C20D33 (1)
Weight, g/mol:	421.123363
ΔH_f, kcal/mol:	-134.06
Dipole, Da:	5.59
IP(EA), eV:	-8.7(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,5R)-5-(4-acetamido-5-nitropyrrolo[2,3-d]pyrimidin-7-yl)-3-acetyloxyoxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1)[C@@](COC3(C)C)(C(=O)C2)CN4CCCCC4

DOS

IR

Vibrations