Geometry & MOs

Info

ID:	394954
PubChem CID:	135024246
Reduced:	NO3C29H33 (1)
Stoich.:	AB3C29D33 (1)
Weight, g/mol:	476.191583
ΔH_f, kcal/mol:	-31.15
Dipole, Da:	3.15
IP(EA), eV:	-9.02(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-(2-morpholin-4-ylethyl)-2-(2-morpholin-4-ylethylimino)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C=CC[C@@H]1C(C([C@@H](CN1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations