Geometry & MOs

Info

ID:	200283
PubChem CID:	79376362
Reduced:	FSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	403.90166
ΔH_f, kcal/mol:	-89.98
Dipole, Da:	4.56
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,6-dibromo-4-methylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SN=C1C)NCC2=CC(=CC=C2)F

DOS

IR

Vibrations