Geometry & MOs

Info

ID:	185722
PubChem CID:	77340121
Reduced:	N2O5C30H52 (1)
Stoich.:	A2B5C30D52 (1)
Weight, g/mol:	780.304716
ΔH_f, kcal/mol:	-254.95
Dipole, Da:	2.36
IP(EA), eV:	-8.08(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-amino-2-hex-5-enylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate

Drug info:

PubChemData

Smile

CC(C)C(CCCCC(C)(C(=O)NCCN1CCCCC1)O)CC2=CC(=C(C=C2)OC)OCCCOC

DOS

IR

Vibrations