Geometry & MOs

Info

ID:	443201
PubChem CID:	135258091
Reduced:	N3C8H9 (1)
Stoich.:	A3B8C9 (1)
Weight, g/mol:	477.179438
ΔH_f, kcal/mol:	99.47
Dipole, Da:	2.69
IP(EA), eV:	-8.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate

Drug info:

PubChemData

Smile

C/C=C/1\C(=N/N=C)\C=CC=N1

DOS

IR

Vibrations