Geometry & MOs

Info

ID:	66630
PubChem CID:	46504948
Reduced:	BrSN3O3C16H22 (1)
Stoich.:	ABC3D3E16F22 (1)
Weight, g/mol:	492.03546
ΔH_f, kcal/mol:	-67.51
Dipole, Da:	9.48
IP(EA), eV:	-8.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)C3CC3)Br

DOS

IR

Vibrations