Geometry & MOs

Info

ID:	86939
PubChem CID:	49890057
Reduced:	ClFINSO5H16C25 (1)
Stoich.:	ABCDEF5G16H25 (1)
Weight, g/mol:	459.115187
ΔH_f, kcal/mol:	-138.65
Dipole, Da:	3.18
IP(EA), eV:	-9.35(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-ethoxy-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)I)OC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations