Geometry & MOs

Info

ID:	192663
PubChem CID:	78298098
Reduced:	SO3N5C10H13 (1)
Stoich.:	AB3C5D10E13 (1)
Weight, g/mol:	270.058675
ΔH_f, kcal/mol:	-34.45
Dipole, Da:	7.48
IP(EA), eV:	-8.5(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-6-sulfanylidene-5H-purin-9-yl)propan-2-yl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOCN1C=NC2C1=NC(=NC2=S)N

DOS

IR

Vibrations