Geometry & MOs

Info

ID:

328391

PubChem CID:

126705749

Reduced:

FCl2O2N5H30C44 (1)

Stoich.:

AB2C2D5E30F44 (1)

Weight, g/mol:

538.111344

ΔHf, kcal/mol:

453.34

Dipole, Da:

3.99

IP(EA), eV:

 -7.99(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(1E)-1-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propan-2-yl]oxy-1-oxopropan-2-yl] 2-methoxypropanoate

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCN(CC4)C(=O)CCC(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)C)N

DOS

IR

Vibrations