Geometry & MOs

Info

ID:	66662
PubChem CID:	46505019
Reduced:	BrClSN2O3C20H20 (1)
Stoich.:	ABCD2E3F20G20 (1)
Weight, g/mol:	478.01981
ΔH_f, kcal/mol:	-57.43
Dipole, Da:	8.35
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)NCCC4=CC=CC=C4Cl)Br

DOS

IR

Vibrations