Geometry & MOs

Info

ID:	171130
PubChem CID:	75331636
Reduced:	BrNSO5H20C21 (1)
Stoich.:	ABCD5E20F21 (1)
Weight, g/mol:	544.94995
ΔH_f, kcal/mol:	-134.05
Dipole, Da:	3.03
IP(EA), eV:	-8.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)OC

DOS

IR

Vibrations