Geometry & MOs

Info

ID:	88354
PubChem CID:	49903026
Reduced:	NSO5H27C31 (1)
Stoich.:	ABC5D27E31 (1)
Weight, g/mol:	468.88059
ΔH_f, kcal/mol:	-97.4
Dipole, Da:	5.35
IP(EA), eV:	-8.73(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54)OC

DOS

IR

Vibrations