Geometry & MOs

Info

ID:	194756
PubChem CID:	78586466
Reduced:	FSN2O2C21H23 (1)
Stoich.:	ABC2D2E21F23 (1)
Weight, g/mol:	413.157326
ΔH_f, kcal/mol:	-59.35
Dipole, Da:	1.25
IP(EA), eV:	-8.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)F)C(C)COC

DOS

IR

Vibrations