Geometry & MOs

Info

ID:	139617
PubChem CID:	52571796
Reduced:	BrFSN3O3C16H17 (1)
Stoich.:	ABCD3E3F16G17 (1)
Weight, g/mol:	359.99434
ΔH_f, kcal/mol:	-93.56
Dipole, Da:	7.31
IP(EA), eV:	-8.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CSCC(=O)N(C)CC2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations