Geometry & MOs

Info

ID:	375804
PubChem CID:	134221794
Reduced:	ISN2O4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	415.145344
ΔH_f, kcal/mol:	-85.14
Dipole, Da:	6.39
IP(EA), eV:	-8.59(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4Z,5Z)-4-ethylidene-7-[2-(3-methoxyphenyl)-2-oxoethoxy]octa-5,7-dienyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)C(=O)COC2=CC=C(C=C2)CC(C(=O)N(C)I)SC=O

DOS

IR

Vibrations