Geometry & MOs

Info

ID:	86878
PubChem CID:	49889873
Reduced:	NSO3Cl4H11C21 (1)
Stoich.:	ABC3D4E11F21 (1)
Weight, g/mol:	594.88142
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	3.99
IP(EA), eV:	-9.23(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC(=C4)Cl)Cl)/SC2=O

DOS

IR

Vibrations