Geometry & MOs

Info

ID:	139935
PubChem CID:	52619813
Reduced:	SO4N5C17H17 (1)
Stoich.:	AB4C5D17E17 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	43.83
Dipole, Da:	6.65
IP(EA), eV:	-9.66(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzo[e][1]benzofuran-1-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(O2)SCC3=NC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations