Geometry & MOs

Info

ID:	154906
PubChem CID:	56314455
Reduced:	BrSO2N4H13C17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	492.05455
ΔH_f, kcal/mol:	8.82
Dipole, Da:	5.82
IP(EA), eV:	-9.22(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations