Geometry & MOs

Info

ID:	313473
PubChem CID:	126614913
Reduced:	ClFNO4H19C23 (1)
Stoich.:	ABCD4E19F23 (1)
Weight, g/mol:	444.081364
ΔH_f, kcal/mol:	-136.53
Dipole, Da:	4.42
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-hydroxy-4-(hydroxymethyl)phenyl]-3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2F)C)C=C(C(=O)OC3=CC=C(C=C3)Cl)OC(=O)C

DOS

IR

Vibrations