Geometry & MOs

Info

ID:	159619
PubChem CID:	57288542
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	419.122501
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	2.16
IP(EA), eV:	-9.2(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-1-enyl]-2,6-di(propan-2-yl)phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=N)N)CC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations