Geometry & MOs

Info

ID:	88142
PubChem CID:	49901833
Reduced:	BrSN2O2H11C16 (1)
Stoich.:	ABC2D2E11F16 (1)
Weight, g/mol:	442.03506
ΔH_f, kcal/mol:	-2.69
Dipole, Da:	2.16
IP(EA), eV:	-9.72(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations