Geometry & MOs

Info

ID:	375788
PubChem CID:	134221778
Reduced:	N2O2Cl3F9H18C23 (1)
Stoich.:	A2B2C3D9E18F23 (1)
Weight, g/mol:	456.171893
ΔH_f, kcal/mol:	-542.39
Dipole, Da:	5.22
IP(EA), eV:	-9.87(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-[4-[[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]pyridin-3-yl]ethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(C2=CC(=C(C(=C2)Cl)Cl)Cl)C(F)(F)F)C(F)(F)F)C(=O)NCCNC(CC(F)(F)F)O

DOS

IR

Vibrations