Geometry & MOs

Info

ID:

87739

PubChem CID:

49896927

Reduced:

FSN2O6H19C26 (1)

Stoich.:

ABC2D6E19F26 (1)

Weight, g/mol:

555.178769

ΔHf, kcal/mol:

-186.72

Dipole, Da:

10.02

IP(EA), eV:

 -8.83(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations