Geometry & MOs

Info

ID:	154908
PubChem CID:	56314457
Reduced:	BrSO3N4H15C21 (1)
Stoich.:	ABC3D4E15F21 (1)
Weight, g/mol:	472.05349
ΔH_f, kcal/mol:	3.52
Dipole, Da:	5.86
IP(EA), eV:	-9.13(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations