Geometry & MOs

Info

ID:	401425
PubChem CID:	135051232
Reduced:	BrN2O2C23H25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	459.97425
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	5.4
IP(EA), eV:	-8.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-3-iodo-5-pyridin-3-ylindole

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)CC1=CN(C2=CC=CC=C21)C(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations