Geometry & MOs

Info

ID:	235819
PubChem CID:	92710721
Reduced:	SO4N6C21H26 (1)
Stoich.:	AB4C6D21E26 (1)
Weight, g/mol:	392.199445
ΔH_f, kcal/mol:	-78.26
Dipole, Da:	3.44
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3S)-3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NN=C(S2)N3CCCC3=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5

DOS

IR

Vibrations