Geometry & MOs

Info

ID:	86561
PubChem CID:	49887105
Reduced:	ClSN2O5H19C21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	560.9204
ΔH_f, kcal/mol:	-147.37
Dipole, Da:	1.82
IP(EA), eV:	-8.9(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(4-chlorophenyl)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=CC=C3Cl)OCC(=O)N

DOS

IR

Vibrations