Geometry & MOs

Info

ID:

328389

PubChem CID:

126705747

Reduced:

S2O3N4C9H10 (1)

Stoich.:

A2B3C4D9E10 (1)

Weight, g/mol:

583.132808

ΔHf, kcal/mol:

-25.11

Dipole, Da:

7.34

IP(EA), eV:

 -9.83(-1.18)

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-hydroxypropanoate

Drug info:

PubChemData

Smile

CC#C/C(=N/S(=O)(=O)C1=NN=C(S1)NC(=O)C)/C

DOS

IR

Vibrations