Geometry & MOs

Info

ID:	66670
PubChem CID:	46505039
Reduced:	BrSN3O4C18H24 (1)
Stoich.:	ABC3D4E18F24 (1)
Weight, g/mol:	448.04563
ΔH_f, kcal/mol:	-112.3
Dipole, Da:	9.54
IP(EA), eV:	-8.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(cyclopropanecarbonyl)-N-methyl-N-(3-methylphenyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)NCCN4CCOCC4)Br

DOS

IR

Vibrations