Geometry & MOs

Info

ID:	312785
PubChem CID:	126608646
Reduced:	O2C19H33 (2)
Stoich.:	A2B19C33 (2)
Weight, g/mol:	180.098414
ΔH_f, kcal/mol:	-268.35
Dipole, Da:	7.86
IP(EA), eV:	-8.96(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(fluoromethoxy)heptane-4-thiol

Drug info:

PubChemData

Smile

CCCCCCC1C=CC(C(C1CCCCCC)C=CC=CCCCCCCCC(=O)O)CCCCCCCC(=O)O

DOS

IR

Vibrations