Geometry & MOs

Info

ID:	88409
PubChem CID:	49903330
Reduced:	BrClSN2O5H12C21 (1)
Stoich.:	ABCD2E5F12G21 (1)
Weight, g/mol:	529.03473
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	3.58
IP(EA), eV:	-9.43(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])/SC2=O)Br

DOS

IR

Vibrations