Geometry & MOs

Info

ID:	314278
PubChem CID:	126621136
Reduced:	ON2F6H18C21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	460.115144
ΔH_f, kcal/mol:	-291.23
Dipole, Da:	5.27
IP(EA), eV:	-9.51(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=CC=C1)C2CN([C@H](O2)C(F)(F)F)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations