Geometry & MOs

Info

ID:	181774
PubChem CID:	76791144
Reduced:	N5O5C18H25 (1)
Stoich.:	A5B5C18D25 (1)
Weight, g/mol:	573.016559
ΔH_f, kcal/mol:	-164.13
Dipole, Da:	6.27
IP(EA), eV:	-8.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[6-[[2-(2,2-dichloroacetyl)oxycyclopentyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl 2,2-dichloroacetate

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC4=C(N=NC=C43)NC5CCCC5O)CO)C

DOS

IR

Vibrations