Geometry & MOs

Info

ID:	88260
PubChem CID:	49902680
Reduced:	BrNSO3H12C17 (1)
Stoich.:	ABCD3E12F17 (1)
Weight, g/mol:	552.05071
ΔH_f, kcal/mol:	-58.7
Dipole, Da:	3.13
IP(EA), eV:	-9.5(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)O)/SC2=O)Br

DOS

IR

Vibrations