Geometry & MOs

Info

ID:	56707
PubChem CID:	22388559
Reduced:	ClSO3N4C28H31 (1)
Stoich.:	ABC3D4E28F31 (1)
Weight, g/mol:	501.056835
ΔH_f, kcal/mol:	-65.95
Dipole, Da:	4.77
IP(EA), eV:	-9.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzenesulfonyl)-3-[(2,4-dichlorophenyl)methyl]-2-propyl-1-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

CCCCCS(=O)(=O)NC(=O)C1=NC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)CCC4=CC=CC=C4)Cl)C

DOS

IR

Vibrations