Geometry & MOs

Info

ID:	88449
PubChem CID:	49903562
Reduced:	S2N3O9H21C26 (1)
Stoich.:	A2B3C9D21E26 (1)
Weight, g/mol:	463.96777
ΔH_f, kcal/mol:	-200.85
Dipole, Da:	5.28
IP(EA), eV:	-8.91(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations