Geometry & MOs

Info

ID:	87120
PubChem CID:	49892507
Reduced:	SCl2N2O6H18C25 (1)
Stoich.:	AB2C2D6E18F25 (1)
Weight, g/mol:	497.05
ΔH_f, kcal/mol:	-86.23
Dipole, Da:	5.67
IP(EA), eV:	-9.52(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 3-fluorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)Cl)OCC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations