Geometry & MOs

Info

ID:	88227
PubChem CID:	49902436
Reduced:	ClSN2O2H21C24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	443.97794
ΔH_f, kcal/mol:	-20.36
Dipole, Da:	9.21
IP(EA), eV:	-8.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations