Geometry & MOs

Info

ID:	264727
PubChem CID:	103486311
Reduced:	NO2F3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-237.12
Dipole, Da:	7.4
IP(EA), eV:	-9.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-4-yl]propanoate

Drug info:

PubChemData

Smile

CCOCC(C)OC1=C(C=C(C=C1)C(F)(F)F)CN

DOS

IR

Vibrations