Geometry & MOs

Info

ID:	66619
PubChem CID:	46504920
Reduced:	BrClSN3O3C22H23 (1)
Stoich.:	ABCD3E3F22G23 (1)
Weight, g/mol:	613.00738
ΔH_f, kcal/mol:	-46.27
Dipole, Da:	8.39
IP(EA), eV:	-8.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5Cl)Br

DOS

IR

Vibrations