Geometry & MOs

Info

ID:	24096
PubChem CID:	607840
Reduced:	SN4O6C13H18 (1)
Stoich.:	AB4C6D13E18 (1)
Weight, g/mol:	358.094705
ΔH_f, kcal/mol:	-182.2
Dipole, Da:	8.19
IP(EA), eV:	-8.88(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-ethoxy-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=C2C(=NC(=NC2=O)SC)N(N1)C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations