Geometry & MOs

Info

ID:	153552
PubChem CID:	56312800
Reduced:	BrN3O4H18C21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	495.07937
ΔH_f, kcal/mol:	-64.45
Dipole, Da:	4.82
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations