Geometry & MOs

Info

ID:	154802
PubChem CID:	56314327
Reduced:	BrN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	461.01572
ΔH_f, kcal/mol:	-89.68
Dipole, Da:	6.22
IP(EA), eV:	-8.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCOCCOC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations