Geometry & MOs

Info

ID:	436170
PubChem CID:	135194293
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	597.256541
ΔH_f, kcal/mol:	-13.41
Dipole, Da:	6.28
IP(EA), eV:	-9.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] tert-butyl carbonate

Drug info:

PubChemData

Smile

C[C@@]12CNCCC1C(C(=O)C(=C2)C#N)(C)C

DOS

IR

Vibrations