Geometry & MOs

Info

ID:	12148
PubChem CID:	131450
Reduced:	N5O5C18H27 (1)
Stoich.:	A5B5C18D27 (1)
Weight, g/mol:	393.201219
ΔH_f, kcal/mol:	-184.66
Dipole, Da:	3.41
IP(EA), eV:	-9.08(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[6-amino-2-(2-cyclohexylethoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CCC(CC1)CCOC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N

DOS

IR

Vibrations