Geometry & MOs

Info

ID:

87946

PubChem CID:

49898876

Reduced:

SN2O2H24C34 (1)

Stoich.:

AB2C2D24E34 (1)

Weight, g/mol:

452.155849

ΔHf, kcal/mol:

55.43

Dipole, Da:

5.8

IP(EA), eV:

 -8.53(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C=C(C4=CC=CC=C43)/C=C\5/C(=O)N(C(=O)S5)CC6=CC=CC7=CC=CC=C76

DOS

IR

Vibrations