Geometry & MOs

Info

ID:	184649
PubChem CID:	77188400
Reduced:	OF2N6C25H26 (1)
Stoich.:	AB2C6D25E26 (1)
Weight, g/mol:	548.368619
ΔH_f, kcal/mol:	-5.26
Dipole, Da:	6.73
IP(EA), eV:	-8.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-amino-3-methylpentanoyl)oxy-2-[(2-amino-6-oxo-5H-purin-9-yl)methyl]butyl] dodecanoate

Drug info:

PubChemData

Smile

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=C(C=N3)C4=CC(=CC=C4)N5CCCC5

DOS

IR

Vibrations