Geometry & MOs

Info

ID:

86651

PubChem CID:

49888253

Reduced:

ClSN3O8H16C24 (1)

Stoich.:

ABC3D8E16F24 (1)

Weight, g/mol:

428.059756

ΔHf, kcal/mol:

-74.68

Dipole, Da:

6.2

IP(EA), eV:

 -9.7(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations