Geometry & MOs

Info

ID:	203064
PubChem CID:	79773730
Reduced:	OSF2N2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	255.050004
ΔH_f, kcal/mol:	-111.7
Dipole, Da:	4.88
IP(EA), eV:	-8.73(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)C2=C(C=CC(=C2F)N)F

DOS

IR

Vibrations