Geometry & MOs

Info

ID:	36517
PubChem CID:	8007877
Reduced:	F3N3O4H16C17 (1)
Stoich.:	A3B3C4D16E17 (1)
Weight, g/mol:	369.094726
ΔH_f, kcal/mol:	-234.91
Dipole, Da:	7.85
IP(EA), eV:	-9.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1OC)/C=N\NC2=NC=C(C=C2)C(F)(F)F)OC

DOS

IR

Vibrations