Geometry & MOs

Info

ID:	86901
PubChem CID:	49889952
Reduced:	FNSCl2O4H14C24 (1)
Stoich.:	ABCD2E4F14G24 (1)
Weight, g/mol:	467.039435
ΔH_f, kcal/mol:	-130.5
Dipole, Da:	4.75
IP(EA), eV:	-9.49(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations