Geometry & MOs

Info

ID:	128703
PubChem CID:	51054764
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	412.10054
ΔH_f, kcal/mol:	-95.38
Dipole, Da:	6.97
IP(EA), eV:	-8.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-5-oxo-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=C(C=C(C=C3)F)OC

DOS

IR

Vibrations