Geometry & MOs

Info

ID:	153948
PubChem CID:	56313302
Reduced:	BrSO2N6H15C20 (1)
Stoich.:	ABC2D6E15F20 (1)
Weight, g/mol:	496.02047
ΔH_f, kcal/mol:	67.23
Dipole, Da:	7.78
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CS2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations