Geometry & MOs

Info

ID:	86938
PubChem CID:	49890051
Reduced:	FNS2O5H18C27 (1)
Stoich.:	ABC2D5E18F27 (1)
Weight, g/mol:	622.94665
ΔH_f, kcal/mol:	-139.48
Dipole, Da:	4.53
IP(EA), eV:	-9.19(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=CC=C3/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations