Geometry & MOs

Info

ID:	154697
PubChem CID:	56314199
Reduced:	BrClO2N4H14C22 (1)
Stoich.:	ABC2D4E14F22 (1)
Weight, g/mol:	478.06405
ΔH_f, kcal/mol:	31.71
Dipole, Da:	11.56
IP(EA), eV:	-9.03(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=C3C(=CC(=C2)Cl)C=CC=N3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations