Geometry & MOs

Info

ID:	158365
PubChem CID:	56463516
Reduced:	SO4N6C23H32 (1)
Stoich.:	AB4C6D23E32 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-68.97
Dipole, Da:	5.51
IP(EA), eV:	-9.28(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2-ethylsulfonylethylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NC(C3=NC(=NO3)C4CC4)C(C)C

DOS

IR

Vibrations