Geometry & MOs

Info

ID:	167399
PubChem CID:	74820167
Reduced:	PF2N4O7C27H27 (1)
Stoich.:	AB2C4D7E27F27 (1)
Weight, g/mol:	445.080636
ΔH_f, kcal/mol:	-285.3
Dipole, Da:	3.96
IP(EA), eV:	-8.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3C4=NOC(N4CC5(O3)COP(=O)(OC5)C)(CO)C6=C(C=C(C=C6)F)F)OC

DOS

IR

Vibrations