Geometry & MOs

Info

ID:	56693
PubChem CID:	22387984
Reduced:	BrCl2S2O3N4H15C20 (1)
Stoich.:	AB2C2D3E4F15G20 (1)
Weight, g/mol:	515.095807
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	4.8
IP(EA), eV:	-9.6(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzenesulfonyl)-3-[(2-chloro-4-phenylphenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1N=C(N2CC3=C(C=C(C=C3)Br)Cl)C)C(=O)NS(=O)(=O)C4=CC=C(S4)Cl

DOS

IR

Vibrations