Geometry & MOs

Info

ID:	158696
PubChem CID:	56465034
Reduced:	BrOSN2C16H23 (1)
Stoich.:	ABCD2E16F23 (1)
Weight, g/mol:	444.179755
ΔH_f, kcal/mol:	-13.76
Dipole, Da:	4.45
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C(C)SC1=CC=C(C=C1)Br)N(C)C2CC2

DOS

IR

Vibrations