Geometry & MOs

Info

ID:	237323
PubChem CID:	92718287
Reduced:	FCl2N3O3H18C20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-144.8
Dipole, Da:	2.91
IP(EA), eV:	-9.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=O)N1C2=CC=C(C=C2)F)CC(=O)N[C@@H](C)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations