Geometry & MOs

Info

ID:	404390
PubChem CID:	135066150
Reduced:	SO2F3H7C12 (1)
Stoich.:	AB2C3D7E12 (1)
Weight, g/mol:	429.18009
ΔH_f, kcal/mol:	-175.23
Dipole, Da:	2.27
IP(EA), eV:	-9.47(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1-benzyl-5-methoxyindol-3-yl)-1,3,7-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(S1)C2=C(C=C(C=C2F)F)F

DOS

IR

Vibrations