Geometry & MOs

Info

ID:

88374

PubChem CID:

49903090

Reduced:

SN2O6H18C26 (1)

Stoich.:

AB2C6D18E26 (1)

Weight, g/mol:

546.981477

ΔHf, kcal/mol:

-51.63

Dipole, Da:

6.07

IP(EA), eV:

 -8.9(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-4-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations