Geometry & MOs

Info

ID:	153957
PubChem CID:	56313312
Reduced:	BrO3N5H16C22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	478.00991
ΔH_f, kcal/mol:	-4.72
Dipole, Da:	6.67
IP(EA), eV:	-9.31(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=O)N2CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations