Geometry & MOs

Info

ID:	42972
PubChem CID:	10317463
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	377.16608
ΔH_f, kcal/mol:	49.73
Dipole, Da:	4.59
IP(EA), eV:	-8.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[(E)-3-hydroxy-4-phenylbut-1-enyl]-2-oxo-1,3-thiazolidin-3-yl]heptanoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC(C1)NC(=O)C2=NN(C3=CC=CC=C32)C)CC4=CC=CC=C4

DOS

IR

Vibrations