Geometry & MOs

Info

ID:

87576

PubChem CID:

49895592

Reduced:

SN2O2H24C31 (1)

Stoich.:

AB2C2D24E31 (1)

Weight, g/mol:

565.10348

ΔHf, kcal/mol:

31.78

Dipole, Da:

6.81

IP(EA), eV:

 -8.6(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC6=CC=CC=C6C=C5)/SC2=O

DOS

IR

Vibrations