Geometry & MOs

Info

ID:	66645
PubChem CID:	46504981
Reduced:	BrSN3O3C24H28 (1)
Stoich.:	ABC3D3E24F28 (1)
Weight, g/mol:	492.03546
ΔH_f, kcal/mol:	-58.79
Dipole, Da:	9.62
IP(EA), eV:	-8.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=C(C=C4CCN(C4=C3)C(=O)C5CC5)Br

DOS

IR

Vibrations