Geometry & MOs

Info

ID:	157915
PubChem CID:	56458997
Reduced:	FSN3O4H18C21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	454.117413
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	2.8
IP(EA), eV:	-8.44(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-[4-(2,2,2-trifluoroethoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2CSCN2C(=O)C3=NOC(=C3)C4=CC=CC=C4F

DOS

IR

Vibrations