Geometry & MOs

Info

ID:	158467
PubChem CID:	56463731
Reduced:	SN4O4C21H30 (1)
Stoich.:	AB4C4D21E30 (1)
Weight, g/mol:	458.142405
ΔH_f, kcal/mol:	-107.68
Dipole, Da:	5.65
IP(EA), eV:	-9.56(-0.42)
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-[(4-fluorophenyl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC(=O)NC(C2=NC(=NO2)C3CC3)C(C)C)C

DOS

IR

Vibrations