Geometry & MOs

Info

ID:	139669
PubChem CID:	52576819
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	280.056944
ΔH_f, kcal/mol:	-61.95
Dipole, Da:	3.61
IP(EA), eV:	-8.91(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1R)-1-(4-fluorophenyl)sulfanylethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCN(CC(=O)N[C@H](C)C1=CC=CC=C1)C(C)C

DOS

IR

Vibrations