Geometry & MOs

Info

ID:	60942
PubChem CID:	26703393
Reduced:	OF3S3N4H11C18 (1)
Stoich.:	AB3C3D4E11F18 (1)
Weight, g/mol:	449.098017
ΔH_f, kcal/mol:	-65.29
Dipole, Da:	6.46
IP(EA), eV:	-8.85(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)SC(F)(F)F)C#N

DOS

IR

Vibrations