Geometry & MOs

Info

ID:

171215

PubChem CID:

75344373

Reduced:

SBr2Cl2N2O4H18C23 (1)

Stoich.:

AB2C2D2E4F18G23 (1)

Weight, g/mol:

608.02866

ΔHf, kcal/mol:

-106.31

Dipole, Da:

4.29

IP(EA), eV:

 -9.51(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-4-[[2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC4=C(C=C(C=C4)Cl)Cl)Br)SC2=O

DOS

IR

Vibrations