Geometry & MOs

Info

ID:	203356
PubChem CID:	79819502
Reduced:	ClFNOSC15H17 (1)
Stoich.:	ABCDEF15G17 (1)
Weight, g/mol:	289.080636
ΔH_f, kcal/mol:	-72.6
Dipole, Da:	1.7
IP(EA), eV:	-9.22(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,1-dioxothiolan-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC(C2=C(C=C(C=C2)Cl)F)O

DOS

IR

Vibrations