Geometry & MOs

Info

ID:	123595
PubChem CID:	50855044
Reduced:	SN3O3H23C24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	444.161997
ΔH_f, kcal/mol:	-9.89
Dipole, Da:	6.21
IP(EA), eV:	-8.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-methyl-2-(4-morpholin-4-ylphenyl)imino-5-[(1-phenylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COCCN1C(=O)/C(=C\C2=CN(C=C2)C3=CC=CC=C3)/SC1=NC4=CC=C(C=C4)OC

DOS

IR

Vibrations