Geometry & MOs

Info

ID:	222079
PubChem CID:	85293820
Reduced:	N5O8C25H35 (1)
Stoich.:	A5B8C25D35 (1)
Weight, g/mol:	536.217203
ΔH_f, kcal/mol:	-359.67
Dipole, Da:	8.63
IP(EA), eV:	-9.53(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[6-(benzylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-4-phenylbenzamide

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NCCC(=O)NC(C(=O)N1)CC2=CC=CC=C2)CO)CC(=O)O

DOS

IR

Vibrations