Geometry & MOs

Info

ID:	158676
PubChem CID:	56464630
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-10.33
Dipole, Da:	4.89
IP(EA), eV:	-9.04(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations