Geometry & MOs

Info

ID:	88436
PubChem CID:	49903525
Reduced:	BrINSO4H17C21 (1)
Stoich.:	ABCDE4F17G21 (1)
Weight, g/mol:	516.05071
ΔH_f, kcal/mol:	-53.94
Dipole, Da:	1.67
IP(EA), eV:	-8.74(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)I)OCC=C

DOS

IR

Vibrations