Geometry & MOs

Info

ID:	66725
PubChem CID:	46505146
Reduced:	BrSN2O3C23H27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	454.00205
ΔH_f, kcal/mol:	-95.73
Dipole, Da:	8.82
IP(EA), eV:	-8.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-2-methyl-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)Br

DOS

IR

Vibrations