Geometry & MOs

Info

ID:	1861
PubChem CID:	5220
Reduced:	O5N7C17H27 (1)
Stoich.:	A5B7C17D27 (1)
Weight, g/mol:	409.207367
ΔH_f, kcal/mol:	-180.3
Dipole, Da:	3.61
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-diamino-6-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2,5-dimethyloxolan-2-yl]hexanoic acid

Drug info:

PubChemData

Smile

CC1(C(C(C(O1)(C)N2C=NC3=C(N=CN=C32)N)O)O)CC(CCC(C(=O)O)N)N

DOS

IR

Vibrations