Geometry & MOs

Info

ID:	88422
PubChem CID:	49903389
Reduced:	BrNSO4H16C23 (1)
Stoich.:	ABCD4E16F23 (1)
Weight, g/mol:	554.01472
ΔH_f, kcal/mol:	-64.16
Dipole, Da:	3.03
IP(EA), eV:	-9.08(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Br

DOS

IR

Vibrations