Geometry & MOs

Info

ID:

87932

PubChem CID:

49898738

Reduced:

NSO6H25C27 (1)

Stoich.:

ABC6D25E27 (1)

Weight, g/mol:

584.105182

ΔHf, kcal/mol:

-172.95

Dipole, Da:

4.19

IP(EA), eV:

 -8.93(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[[2,5-dimethyl-1-(3-nitro-4-piperidin-1-ylphenyl)pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OCC(=O)OCC

DOS

IR

Vibrations