Geometry & MOs

Info

ID:	88342
PubChem CID:	49902986
Reduced:	NSO4H15C21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	461.02964
ΔH_f, kcal/mol:	-81.25
Dipole, Da:	4.82
IP(EA), eV:	-9.26(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=COC4=CC=CC=C4C3=O)/SC2=O

DOS

IR

Vibrations