Geometry & MOs

Info

ID:	44410
PubChem CID:	10503406
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	443.206973
ΔH_f, kcal/mol:	-23.19
Dipole, Da:	2.76
IP(EA), eV:	-8.98(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(1,3-diphenylimidazolidin-2-yl)oxolan-3-ol

Drug info:

PubChemData

Smile

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)C(=O)N)CC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations