Geometry & MOs

Info

ID:	66708
PubChem CID:	46505104
Reduced:	BrClSN2O3C19H20 (1)
Stoich.:	ABCD2E3F19G20 (1)
Weight, g/mol:	480.03546
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	10.77
IP(EA), eV:	-9.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(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)NCCC3=CC=C(C=C3)Cl)Br

DOS

IR

Vibrations