Geometry & MOs

Info

ID:	153949
PubChem CID:	56313303
Reduced:	BrSO3N4H17C22 (1)
Stoich.:	ABC3D4E17F22 (1)
Weight, g/mol:	477.04365
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	8.43
IP(EA), eV:	-9.17(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NC(=CS2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations