Geometry & MOs

Info

ID:

107398

PubChem CID:

50201336

Reduced:

FSO3N6C28H33 (1)

Stoich.:

ABC3D6E28F33 (1)

Weight, g/mol:

557.278424

ΔHf, kcal/mol:

-111.79

Dipole, Da:

9.41

IP(EA), eV:

 -9.11(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations