Geometry & MOs

Info

ID:	188223
PubChem CID:	77683172
Reduced:	ClFNO4C23H23 (1)
Stoich.:	ABCD4E23F23 (1)
Weight, g/mol:	406.160082
ΔH_f, kcal/mol:	-188.3
Dipole, Da:	1.29
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 1-acetylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)C(C)C1=C(N(C2=C1C(=C(C=C2)O)F)C(=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations