Geometry & MOs

Info

ID:	178230
PubChem CID:	76298641
Reduced:	BrS2N3O4H10C12 (1)
Stoich.:	AB2C3D4E10F12 (1)
Weight, g/mol:	416.97828
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	7.98
IP(EA), eV:	-9.55(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-oxopyridin-3-ylidene)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

Drug info:

PubChemData

Smile

CN(CC(=O)N=C1C=C(C=NC1=O)Br)S(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations