Geometry & MOs

Info

ID:	200328
PubChem CID:	79376449
Reduced:	SF2N2O2H12C13 (1)
Stoich.:	AB2C2D2E12F13 (1)
Weight, g/mol:	238.113984
ΔH_f, kcal/mol:	-134.84
Dipole, Da:	3.25
IP(EA), eV:	-9.16(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(cyclopentylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)C)NC2=CC=CC=C2OC(F)F

DOS

IR

Vibrations