Geometry & MOs

Info

ID:	86884
PubChem CID:	49889889
Reduced:	SN2Cl3O4H17C25 (1)
Stoich.:	AB2C3D4E17F25 (1)
Weight, g/mol:	485.05
ΔH_f, kcal/mol:	-95.8
Dipole, Da:	2.58
IP(EA), eV:	-9.19(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-5-[5-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations