Geometry & MOs

Info

ID:	154499
PubChem CID:	56313951
Reduced:	BrN3O5H18C22 (1)
Stoich.:	AB3C5D18E22 (1)
Weight, g/mol:	494.09535
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	5.59
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-benzamido-3-methylbutanoyl)amino]-N-(5-bromopyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations