Geometry & MOs

Info

ID:	86911
PubChem CID:	49889968
Reduced:	FNSO5H14C22 (1)
Stoich.:	ABCD5E14F22 (1)
Weight, g/mol:	603.00127
ΔH_f, kcal/mol:	-139.98
Dipole, Da:	3.22
IP(EA), eV:	-9.61(-1.27)
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] 4-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(=O)C2=CC=CO2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations