Geometry & MOs

Info

ID:	87611
PubChem CID:	49895808
Reduced:	SN2O2C23H24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	574.199839
ΔH_f, kcal/mol:	-36.66
Dipole, Da:	6.65
IP(EA), eV:	-8.21(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]phenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)N4CCCCC4)/SC2=O

DOS

IR

Vibrations