Geometry & MOs

Info

ID:

441307

PubChem CID:

135234070

Reduced:

OSN3C11H16 (2)

Stoich.:

ABC3D11E16 (2)

Weight, g/mol:

668.219923

ΔHf, kcal/mol:

-24.76

Dipole, Da:

7.48

IP(EA), eV:

 -9.26(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-(ethylideneamino)-5-(oxetan-3-yloxy)-N-[5-[(1S,3S)-3-[5-[[2-[4-(oxetan-3-yloxy)pyridin-2-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]pent-3-enamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(NC2=NN=C(S2)[C@H]3CCC[C@@H](C3)C4=NN=C(S4)NC(=O)C5CCCC5)O

DOS

IR

Vibrations