Geometry & MOs

Info

ID:	153358
PubChem CID:	56312544
Reduced:	BrN3O4H18C23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	467.04807
ΔH_f, kcal/mol:	-47.53
Dipole, Da:	3.67
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(4-acetylphenoxy)acetyl]amino]-N-(5-bromopyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations