Geometry & MOs

Info

ID:	154912
PubChem CID:	56314461
Reduced:	BrO2N6H21C22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	441.01466
ΔH_f, kcal/mol:	22.52
Dipole, Da:	5.11
IP(EA), eV:	-9.13(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=CN=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations