Geometry & MOs

Info

ID:	171089
PubChem CID:	75326444
Reduced:	NSCl2O4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	560.9204
ΔH_f, kcal/mol:	-128.32
Dipole, Da:	4.37
IP(EA), eV:	-8.89(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-bromobenzoate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OCC

DOS

IR

Vibrations