Geometry & MOs

Info

ID:	185595
PubChem CID:	77318826
Reduced:	FO2C30H39 (1)
Stoich.:	AB2C30D39 (1)
Weight, g/mol:	548.368619
ΔH_f, kcal/mol:	-132.11
Dipole, Da:	2.55
IP(EA), eV:	-9.06(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)CC(CC=CF)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations