Geometry & MOs

Info

ID:	66550
PubChem CID:	46504780
Reduced:	BrSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	601.00738
ΔH_f, kcal/mol:	-145.85
Dipole, Da:	8.43
IP(EA), eV:	-8.05(-0.73)
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-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NC3=C(C=C(C=C3)OC)OC)Br

DOS

IR

Vibrations