Geometry & MOs

Info

ID:	171078
PubChem CID:	75324009
Reduced:	SN3O8C27H29 (1)
Stoich.:	AB3C8D27E29 (1)
Weight, g/mol:	516.03546
ΔH_f, kcal/mol:	-253.86
Dipole, Da:	6.83
IP(EA), eV:	-8.62(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCOCC4)OC

DOS

IR

Vibrations