Geometry & MOs

Info

ID:	61584
PubChem CID:	26710739
Reduced:	SN3O4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	449.04088
ΔH_f, kcal/mol:	-117.25
Dipole, Da:	4.13
IP(EA), eV:	-8.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCC2=CNC3=CC=CC=C32)OC

DOS

IR

Vibrations