Geometry & MOs

Info

ID:	66293
PubChem CID:	46504148
Reduced:	BrSN2O3H21C23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	464.07693
ΔH_f, kcal/mol:	-44.35
Dipole, Da:	8.57
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-benzyl-5-bromo-N-butyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Br

DOS

IR

Vibrations