Geometry & MOs

Info

ID:	433855
PubChem CID:	135173998
Reduced:	FSO4N8H21C23 (1)
Stoich.:	ABC4D8E21F23 (1)
Weight, g/mol:	492.149221
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	11.38
IP(EA), eV:	-8.67(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(4-aminosulfanyl-2-fluoroanilino)-7-(1H-indol-5-yl)-9-(oxolan-3-yl)purin-8-one

Drug info:

PubChemData

Smile

C1COCC1N2C3=NC(=NC(=C3N(C2=O)C4=CC5=C(C=C4)NC=C5)N)NC6=C(C=C(C=C6)S(=O)(=O)N)F

DOS

IR

Vibrations