Geometry & MOs

Info

ID:	154396
PubChem CID:	56313821
Reduced:	BrN4O4H21C23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	494.05897
ΔH_f, kcal/mol:	-67.54
Dipole, Da:	6.79
IP(EA), eV:	-9.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)C(=O)C4=CC=CO4

DOS

IR

Vibrations