Geometry & MOs

Info

ID:	86881
PubChem CID:	49889877
Reduced:	FNS2O6H18C24 (1)
Stoich.:	ABC2D6E18F24 (1)
Weight, g/mol:	570.99618
ΔH_f, kcal/mol:	-200.0
Dipole, Da:	9.9
IP(EA), eV:	-9.07(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-ethoxy-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-iodophenoxy]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations