Geometry & MOs

Info

ID:	88381
PubChem CID:	49903098
Reduced:	ClSN2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	512.9068
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	1.2
IP(EA), eV:	-9.02(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations