Geometry & MOs

Info

ID:	391243
PubChem CID:	135003837
Reduced:	BrSF2O3H11C15 (1)
Stoich.:	ABC2D3E11F15 (1)
Weight, g/mol:	444.154603
ΔH_f, kcal/mol:	-152.38
Dipole, Da:	7.52
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(=C(F)F)C2=CC=C(C=C2)Br

DOS

IR

Vibrations