Geometry & MOs

Info

ID:

87210

PubChem CID:

49893161

Reduced:

SCl2N2O5H28C30 (1)

Stoich.:

AB2C2D5E28F30 (1)

Weight, g/mol:

545.036972

ΔHf, kcal/mol:

-146.05

Dipole, Da:

1.81

IP(EA), eV:

 -8.77(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-methoxybenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OCC(=O)NC4=CC=CC=C4C(C)C

DOS

IR

Vibrations