Geometry & MOs

Info

ID:	224462
PubChem CID:	85343433
Reduced:	BrO8C25H37 (1)
Stoich.:	AB8C25D37 (1)
Weight, g/mol:	552.223351
ΔH_f, kcal/mol:	-328.0
Dipole, Da:	2.12
IP(EA), eV:	-9.53(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-hydroxy-5-(hydroxymethyl)-2-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]oxolan-3-yl]-1H-indole-5-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CC3C4CC(C(C4C=C(C3C2O)Br)C=C)C(=O)OC)OC)OC)OC

DOS

IR

Vibrations