Geometry & MOs

Info

ID:

87744

PubChem CID:

49896987

Reduced:

N2S2O7H20C22 (1)

Stoich.:

A2B2C7D20E22 (1)

Weight, g/mol:

623.0799

ΔHf, kcal/mol:

-209.46

Dipole, Da:

3.48

IP(EA), eV:

 -9.31(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-6-ethoxy-4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations