Geometry & MOs

Info

ID:	86675
PubChem CID:	49888418
Reduced:	ClSF3N3O3H15C24 (1)
Stoich.:	ABC3D3E3F15G24 (1)
Weight, g/mol:	493.075072
ΔH_f, kcal/mol:	-152.93
Dipole, Da:	9.97
IP(EA), eV:	-9.15(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenyl] benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N/N=C/2\C=CC(=O)C(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations