Geometry & MOs

Info

ID:

327043

PubChem CID:

126688913

Reduced:

F3N4O4C33H33 (1)

Stoich.:

A3B4C4D33E33 (1)

Weight, g/mol:

396.04835

ΔHf, kcal/mol:

-198.24

Dipole, Da:

6.27

IP(EA), eV:

 -8.66(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[[(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-yl]sulfonyl]-2-hydroxypropanamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1OCCCC)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)O

DOS

IR

Vibrations