Geometry & MOs

Info

ID:	218773
PubChem CID:	85089951
Reduced:	NSiO2C32H49 (1)
Stoich.:	ABC2D32E49 (1)
Weight, g/mol:	511.146991
ΔH_f, kcal/mol:	-123.06
Dipole, Da:	3.38
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-(2-oxo-6-pyridin-1-ium-1-yl-3,4,5,6-tetrahydro-1H-purin-9-yl)oxolan-2-yl]methyl acetate;chloride

Drug info:

PubChemData

Smile

CCCCCCCCC=CC(C(CO[Si](C)(C)C(C)(C)C)N=C(C1=CC=CC=C1)C2=CC=CC=C2)O

DOS

IR

Vibrations