Geometry & MOs

Info

ID:	66616
PubChem CID:	46504914
Reduced:	BrSO3N4C23H29 (1)
Stoich.:	ABC3D4E23F29 (1)
Weight, g/mol:	492.10823
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	9.36
IP(EA), eV:	-8.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-propanoyl-N-(4-propan-2-ylphenyl)-N-propyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NCCN3CCN(CC3)C4=CC=CC=C4)Br

DOS

IR

Vibrations