Geometry & MOs

Info

ID:	88148
PubChem CID:	49901869
Reduced:	SN3O8H15C22 (1)
Stoich.:	AB3C8D15E22 (1)
Weight, g/mol:	422.93315
ΔH_f, kcal/mol:	-71.2
Dipole, Da:	8.68
IP(EA), eV:	-9.24(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations