Geometry & MOs

Info

ID:

88448

PubChem CID:

49903559

Reduced:

ClSN2O6H21C29 (1)

Stoich.:

ABC2D6E21F29 (1)

Weight, g/mol:

583.071922

ΔHf, kcal/mol:

-57.38

Dipole, Da:

4.21

IP(EA), eV:

 -8.89(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methoxy-6-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])Cl)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations