Geometry & MOs

Info

ID:

328393

PubChem CID:

126705751

Reduced:

N2S3O4C15H20 (1)

Stoich.:

A2B3C4D15E20 (1)

Weight, g/mol:

597.148458

ΔHf, kcal/mol:

-79.11

Dipole, Da:

6.35

IP(EA), eV:

 -9.23(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(1E)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propan-2-yl]oxy-1-oxopropan-2-yl] 2-methoxypropanoate

Drug info:

PubChemData

Smile

CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)/N=C(\C)/C#CC)C

DOS

IR

Vibrations