Geometry & MOs

Info

ID:	337562
PubChem CID:	127258185
Reduced:	N5O7C21H25 (1)
Stoich.:	A5B7C21D25 (1)
Weight, g/mol:	265.117489
ΔH_f, kcal/mol:	-214.3
Dipole, Da:	11.17
IP(EA), eV:	-9.39(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5S)-4-amino-5-(hydroxymethyl)-2-(6-methylpurin-9-yl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCC(=O)NC2=NC(=O)C3=C(N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

DOS

IR

Vibrations