Geometry & MOs

Info

ID:	158707
PubChem CID:	56465155
Reduced:	BrO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	41.5
Dipole, Da:	6.27
IP(EA), eV:	-9.38(-0.98)
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]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=NN(C4=C3CCCC4)C5=CC(=CC=C5)Br

DOS

IR

Vibrations