Geometry & MOs

Info

ID:	86904
PubChem CID:	49889957
Reduced:	FNSBr2O5H16C25 (1)
Stoich.:	ABCD2E5F16G25 (1)
Weight, g/mol:	588.97616
ΔH_f, kcal/mol:	-142.19
Dipole, Da:	6.81
IP(EA), eV:	-9.39(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-6-ethoxy-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Br)OC(=O)C4=CC=CC=C4Br

DOS

IR

Vibrations