Geometry & MOs

Info

ID:	66596
PubChem CID:	46504875
Reduced:	BrSN3O3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	471.11913
ΔH_f, kcal/mol:	-81.19
Dipole, Da:	7.74
IP(EA), eV:	-8.71(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)propyl]-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NCCCN(C)CC3=CC=CC=C3)Br

DOS

IR

Vibrations