Geometry & MOs

Info

ID:	87621
PubChem CID:	49895931
Reduced:	NSO4H21C26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	447.01399
ΔH_f, kcal/mol:	-86.52
Dipole, Da:	5.47
IP(EA), eV:	-9.19(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC(=C4)C)/SC2=O

DOS

IR

Vibrations