Geometry & MOs

Info

ID:

87834

PubChem CID:

49897831

Reduced:

SN3O8H19C28 (1)

Stoich.:

AB3C8D19E28 (1)

Weight, g/mol:

466.171499

ΔHf, kcal/mol:

-47.63

Dipole, Da:

10.31

IP(EA), eV:

 -9.11(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations