Geometry & MOs

Info

ID:	128379
PubChem CID:	51042081
Reduced:	NSO2C21H29 (1)
Stoich.:	ABC2D21E29 (1)
Weight, g/mol:	341.218864
ΔH_f, kcal/mol:	-61.91
Dipole, Da:	3.64
IP(EA), eV:	-8.39(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1-(1,3-thiazol-2-yl)hexadecan-1-one

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)OCCCC(=O)C2=NC=CS2

DOS

IR

Vibrations