Geometry & MOs

Info

ID:	86997
PubChem CID:	49890392
Reduced:	FNSI2O3H12C20 (1)
Stoich.:	ABCD2E3F12G20 (1)
Weight, g/mol:	504.151907
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	4.0
IP(EA), eV:	-9.38(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCOC1=C(C=C(C=C1I)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)I

DOS

IR

Vibrations