Geometry & MOs

Info

ID:	171157
PubChem CID:	75336685
Reduced:	BrFNSCl2O3H9C17 (1)
Stoich.:	ABCDE2F3G9H17 (1)
Weight, g/mol:	405.023785
ΔH_f, kcal/mol:	-117.23
Dipole, Da:	1.51
IP(EA), eV:	-9.6(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)CN2C(=O)C(=CC3=C(C(=CC(=C3)Br)Cl)O)SC2=O

DOS

IR

Vibrations