Geometry & MOs

Info

ID:

135970

PubChem CID:

51960778

Reduced:

O2F3N3C21H28 (1)

Stoich.:

A2B3C3D21E28 (1)

Weight, g/mol:

488.182379

ΔHf, kcal/mol:

-264.05

Dipole, Da:

9.53

IP(EA), eV:

 -9.49(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

tert-butyl (3S)-3-[[(3S)-1-[(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-3-yl]carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCC[C@H]2C(=O)NCCC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations