Geometry & MOs

Info

ID:	88233
PubChem CID:	49902476
Reduced:	BrNSO4H28C29 (1)
Stoich.:	ABCD4E28F29 (1)
Weight, g/mol:	563.88132
ΔH_f, kcal/mol:	-89.79
Dipole, Da:	3.57
IP(EA), eV:	-8.81(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations