Geometry & MOs

Info

ID:	66532
PubChem CID:	46504748
Reduced:	BrClSN2O5C20H20 (1)
Stoich.:	ABCD2E5F20G20 (1)
Weight, g/mol:	460.06676
ΔH_f, kcal/mol:	-165.51
Dipole, Da:	3.53
IP(EA), eV:	-8.6(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(3-ethoxypropyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=C(C=CC(=C3)Cl)OC)Br

DOS

IR

Vibrations