Geometry & MOs

Info

ID:	161573
PubChem CID:	57392027
Reduced:	OSF2N3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	316.07941
ΔH_f, kcal/mol:	-63.95
Dipole, Da:	5.42
IP(EA), eV:	-8.33(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methylidene]-2-(methylamino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C=C(C=C2)F)F)C)/C=C\3/C(=O)N(C(=NC)S3)C

DOS

IR

Vibrations