Geometry & MOs

Info

ID:	86917
PubChem CID:	49889991
Reduced:	FNSCl2O4H20C26 (1)
Stoich.:	ABCD2E4F20G26 (1)
Weight, g/mol:	588.97616
ΔH_f, kcal/mol:	-138.33
Dipole, Da:	7.18
IP(EA), eV:	-8.67(-1.09)
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] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OCC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations