Geometry & MOs

Info

ID:	87000
PubChem CID:	49890407
Reduced:	FSCl2N2O2H17C26 (1)
Stoich.:	ABC2D2E2F17G26 (1)
Weight, g/mol:	490.136257
ΔH_f, kcal/mol:	-43.12
Dipole, Da:	6.47
IP(EA), eV:	-8.61(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=C(C=CC=C3Cl)Cl)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations