Geometry & MOs

Info

ID:	88434
PubChem CID:	49903510
Reduced:	BrSN2O2H21C27 (1)
Stoich.:	ABC2D2E21F27 (1)
Weight, g/mol:	546.04602
ΔH_f, kcal/mol:	11.37
Dipole, Da:	8.33
IP(EA), eV:	-8.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC3=CC=CC=C3C=C2)C)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Br

DOS

IR

Vibrations