Geometry & MOs

Info

ID:	31967
PubChem CID:	3725944
Reduced:	SO2N3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	401.06266
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	4.07
IP(EA), eV:	-8.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-hydroxy-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-1H-indol-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2

DOS

IR

Vibrations