Geometry & MOs

Info

ID:	87006
PubChem CID:	49890453
Reduced:	SN2Cl3O5H21C27 (1)
Stoich.:	AB2C3D5E21F27 (1)
Weight, g/mol:	495.0952
ΔH_f, kcal/mol:	-142.84
Dipole, Da:	3.36
IP(EA), eV:	-8.85(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)OC)Cl

DOS

IR

Vibrations