Geometry & MOs

Info

ID:	66667
PubChem CID:	46505036
Reduced:	BrSN2O5C22H25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	462.06128
ΔH_f, kcal/mol:	-133.47
Dipole, Da:	9.17
IP(EA), eV:	-8.37(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-5-bromo-1-(cyclopropanecarbonyl)-N-ethyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations