Geometry & MOs

Info

ID:	176665
PubChem CID:	76080335
Reduced:	SN6O14C56H102 (1)
Stoich.:	AB6C14D56E102 (1)
Weight, g/mol:	395.216869
ΔH_f, kcal/mol:	-771.53
Dipole, Da:	15.95
IP(EA), eV:	-9.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[5-(1-butoxypentyl)-3,4-dihydroxyoxolan-2-yl]-5H-purin-6-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(CSCCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)N(C(CCC(=O)O)C(=O)O)NC(=O)C(CCCCN)N)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations