Geometry & MOs

Info

ID:	66605
PubChem CID:	46504890
Reduced:	BrClSN3O3C28H29 (1)
Stoich.:	ABCD3E3F28G29 (1)
Weight, g/mol:	480.03546
ΔH_f, kcal/mol:	-44.77
Dipole, Da:	10.03
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)Br

DOS

IR

Vibrations