Geometry & MOs

Info

ID:	238638
PubChem CID:	92764076
Reduced:	SN2F3O3H13C17 (1)
Stoich.:	AB2C3D3E13F17 (1)
Weight, g/mol:	412.109293
ΔH_f, kcal/mol:	-202.93
Dipole, Da:	9.26
IP(EA), eV:	-9.48(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4Z)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)SC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C(F)(F)F)C#N

DOS

IR

Vibrations