Geometry & MOs

Info

ID:	133365
PubChem CID:	51515886
Reduced:	FSO2N4H14C17 (1)
Stoich.:	ABC2D4E14F17 (1)
Weight, g/mol:	442.083707
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	3.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.121876
Charge, e:	-1

Chem-info

IUPAC name:

(5S)-5-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-[2-(trifluoromethyl)phenyl]imino-5H-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=NC(=N2)SCC(=O)NC3=CC=CC=C3F)[O-])C

DOS

IR

Vibrations