Geometry & MOs

Info

ID:	425314
PubChem CID:	135125906
Reduced:	SO2F3N7H20C21 (1)
Stoich.:	AB2C3D7E20F21 (1)
Weight, g/mol:	221.012219
ΔH_f, kcal/mol:	-35.04
Dipole, Da:	2.15
IP(EA), eV:	-8.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)COC2=NC=C(N=C2)C(=CC3=CC(=C(C(=C3)F)F)C4(CSN(C(=N4)N)C)C)F

DOS

IR

Vibrations