Geometry & MOs

Info

ID:	177024
PubChem CID:	76126028
Reduced:	N7O10C39H63 (1)
Stoich.:	A7B10C39D63 (1)
Weight, g/mol:	361.98759
ΔH_f, kcal/mol:	-515.59
Dipole, Da:	2.39
IP(EA), eV:	-9.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5H-purin-6-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NC(=O)C(C(C)C)NC(=O)C1CCCC1C(C(CC2=CC=CC=C2)NC(=O)C(C)N(C(=O)C(C)NC(=O)C(CO)N)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations