Geometry & MOs

Info

ID:	66741
PubChem CID:	46505172
Reduced:	BrFSN3O3C21H23 (1)
Stoich.:	ABCD3E3F21G23 (1)
Weight, g/mol:	455.991
ΔH_f, kcal/mol:	-110.4
Dipole, Da:	9.43
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-N-(3-chloro-4-methylphenyl)-2-methyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)Br

DOS

IR

Vibrations