Geometry & MOs

Info

ID:	158187
PubChem CID:	56463125
Reduced:	SN4O6C23H32 (1)
Stoich.:	AB4C6D23E32 (1)
Weight, g/mol:	407.06447
ΔH_f, kcal/mol:	-149.4
Dipole, Da:	3.2
IP(EA), eV:	-8.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations