Geometry & MOs

Info

ID:	87623
PubChem CID:	49895965
Reduced:	BrNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	447.97286
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	4.22
IP(EA), eV:	-9.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)Br)/SC2=O

DOS

IR

Vibrations