Geometry & MOs

Info

ID:	87161
PubChem CID:	49892797
Reduced:	NSCl2O4H11C18 (1)
Stoich.:	ABC2D4E11F18 (1)
Weight, g/mol:	560.9204
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	2.95
IP(EA), eV:	-9.82(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)C(=O)O

DOS

IR

Vibrations