Geometry & MOs

Info

ID:	88066
PubChem CID:	49900448
Reduced:	SCl2N2O2H22C29 (1)
Stoich.:	AB2C2D2E22F29 (1)
Weight, g/mol:	578.079361
ΔH_f, kcal/mol:	-0.6
Dipole, Da:	8.51
IP(EA), eV:	-8.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[(2,4-dimorpholin-4-yl-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)/C=C\4/C(=O)N(C(=O)S4)CC5=C(C=CC=C5Cl)Cl

DOS

IR

Vibrations