Geometry & MOs

Info

ID:	86761
PubChem CID:	49888961
Reduced:	SCl2N2O4H10C17 (1)
Stoich.:	AB2C2D4E10F17 (1)
Weight, g/mol:	594.145217
ΔH_f, kcal/mol:	-36.6
Dipole, Da:	2.43
IP(EA), eV:	-9.69(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)/SC2=O)Cl

DOS

IR

Vibrations