Geometry & MOs

Info

ID:	158838
PubChem CID:	56479540
Reduced:	SO4N5C22H27 (1)
Stoich.:	AB4C5D22E27 (1)
Weight, g/mol:	453.07218
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	1.77
IP(EA), eV:	-9.85(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(1,1-dioxo-4-piperidin-1-ylthiolan-3-yl)-1-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NCCC(=O)NC(C2=NC(=NO2)C3=CC=NC=C3)C(C)C)C

DOS

IR

Vibrations