Geometry & MOs

Info

ID:	88326
PubChem CID:	49902943
Reduced:	BrNSO5H16C23 (1)
Stoich.:	ABCD5E16F23 (1)
Weight, g/mol:	433.95721
ΔH_f, kcal/mol:	-115.59
Dipole, Da:	8.27
IP(EA), eV:	-9.32(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations