Geometry & MOs

Info

ID:	170157
PubChem CID:	75205083
Reduced:	ClN2O2F3H16C20 (1)
Stoich.:	AB2C2D3E16F20 (1)
Weight, g/mol:	424.145678
ΔH_f, kcal/mol:	-174.9
Dipole, Da:	5.33
IP(EA), eV:	-9.26(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(3,5-dimethylphenoxy)propanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations