Geometry & MOs

Info

ID:	164306
PubChem CID:	74382800
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	550.217129
ΔH_f, kcal/mol:	16.53
Dipole, Da:	2.27
IP(EA), eV:	-8.68(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-3-[methyl(propylsulfonyl)amino]-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide

Drug info:

PubChemData

Smile

C1CC23CC1C(C(=C2C4=C(C3)C5=C(C=C4)NN=C5)Br)O

DOS

IR

Vibrations