Geometry & MOs

Info

ID:	43495
PubChem CID:	10321388
Reduced:	N3O3H21C28 (1)
Stoich.:	A3B3C21D28 (1)
Weight, g/mol:	447.131586
ΔH_f, kcal/mol:	60.05
Dipole, Da:	5.0
IP(EA), eV:	-8.96(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxo-1,3-thiazolidin-3-yl]propyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C4=CC=CC=C4N=C3C5=CC=CC(=C5)/C=C/C(=O)NO

DOS

IR

Vibrations