Geometry & MOs

Info

ID:	158586
PubChem CID:	56464238
Reduced:	SO4N5C22H31 (1)
Stoich.:	AB4C5D22E31 (1)
Weight, g/mol:	485.136905
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	2.89
IP(EA), eV:	-7.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)CS(=O)(=O)NC3=CC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations