Geometry & MOs

Info

ID:	87985
PubChem CID:	49899372
Reduced:	NSCl2O2F3H10C18 (1)
Stoich.:	ABC2D2E3F10G18 (1)
Weight, g/mol:	533.025535
ΔH_f, kcal/mol:	-193.46
Dipole, Da:	2.07
IP(EA), eV:	-9.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-2-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations