Geometry & MOs

Info

ID:	188044
PubChem CID:	77659324
Reduced:	SN5O5C27H33 (1)
Stoich.:	AB5C5D27E33 (1)
Weight, g/mol:	307.128054
ΔH_f, kcal/mol:	-137.4
Dipole, Da:	5.51
IP(EA), eV:	-8.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-3-cyclopropyl-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1=C(N2C=C(C=C(C2=N1)NC3CCOC4=CC=CC=C34)C(=O)N5CCOCC5)NC(CCSC)C(=O)O

DOS

IR

Vibrations