Geometry & MOs

Info

ID:	154284
PubChem CID:	56313696
Reduced:	BrSN3O4H16C20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	453.08004
ΔH_f, kcal/mol:	-71.02
Dipole, Da:	7.59
IP(EA), eV:	-9.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations