Geometry & MOs

Info

ID:

88492

PubChem CID:

49903849

Reduced:

ClSN2O6H25C29 (1)

Stoich.:

ABC2D6E25F29 (1)

Weight, g/mol:

558.005527

ΔHf, kcal/mol:

-76.55

Dipole, Da:

5.91

IP(EA), eV:

 -8.93(-1.43)

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] 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations