Geometry & MOs

Info

ID:	87698
PubChem CID:	49896599
Reduced:	SN2O5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	461.02964
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	3.21
IP(EA), eV:	-9.46(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-[(4-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)O)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations