Geometry & MOs

Info

ID:	88250
PubChem CID:	49902615
Reduced:	BrSN2O5H23C27 (1)
Stoich.:	ABC2D5E23F27 (1)
Weight, g/mol:	553.05586
ΔH_f, kcal/mol:	-114.26
Dipole, Da:	1.89
IP(EA), eV:	-8.9(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)OC

DOS

IR

Vibrations