Geometry & MOs

Info

ID:	434273
PubChem CID:	135174570
Reduced:	FNC9H18 (1)
Stoich.:	ABC9D18 (1)
Weight, g/mol:	690.077111
ΔH_f, kcal/mol:	-74.9
Dipole, Da:	2.7
IP(EA), eV:	-8.69(2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(6R,15R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13-pentaoxa-16-thia-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CCCCCN1CCC(C1)F

DOS

IR

Vibrations