Geometry & MOs

Info

ID:	54359
PubChem CID:	17114209
Reduced:	BrSN3O5H16C20 (1)
Stoich.:	ABC3D5E16F20 (1)
Weight, g/mol:	510.03612
ΔH_f, kcal/mol:	-38.92
Dipole, Da:	6.4
IP(EA), eV:	-8.83(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-ethoxy-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)[N+](=O)[O-]

DOS

IR

Vibrations