Geometry & MOs

Info

ID:	124054
PubChem CID:	50871259
Reduced:	ClFNS2O3C25H25 (1)
Stoich.:	ABCD2E3F25G25 (1)
Weight, g/mol:	405.03408
ΔH_f, kcal/mol:	-103.55
Dipole, Da:	4.81
IP(EA), eV:	-8.42(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] methanesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3CCCCC3)OCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations