Geometry & MOs

Info

ID:

87809

PubChem CID:

49897601

Reduced:

SN2O5H24C27 (1)

Stoich.:

AB2C5D24E27 (1)

Weight, g/mol:

578.129377

ΔHf, kcal/mol:

-118.48

Dipole, Da:

4.81

IP(EA), eV:

 -9.09(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC5=CC=CC=C5C=C4)/SC2=O

DOS

IR

Vibrations