Geometry & MOs

Info

ID:	307885
PubChem CID:	125310514
Reduced:	N2O7C42H82 (1)
Stoich.:	A2B7C42D82 (1)
Weight, g/mol:	281.112404
ΔH_f, kcal/mol:	-461.98
Dipole, Da:	7.53
IP(EA), eV:	-9.33(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,5S)-5-[6-amino-8-(hydroxymethyl)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CN)O)O)O)[C@H](/C=C/CCCCCCCCCCCCC)O

DOS

IR

Vibrations