Geometry & MOs

Info

ID:	66738
PubChem CID:	46505169
Reduced:	BrSN3O5C20H22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	466.01981
ΔH_f, kcal/mol:	-144.5
Dipole, Da:	9.41
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1-acetyl-5-bromo-2-methyl-2,3-dihydroindol-6-yl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4)Br

DOS

IR

Vibrations