Geometry & MOs

Info

ID:	86647
PubChem CID:	49888230
Reduced:	ClINSO4H15C21 (1)
Stoich.:	ABCDE4F15G21 (1)
Weight, g/mol:	516.112185
ΔH_f, kcal/mol:	-22.05
Dipole, Da:	4.66
IP(EA), eV:	-8.9(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)I)OCC#C

DOS

IR

Vibrations