Geometry & MOs

Info

ID:	204332
PubChem CID:	79949654
Reduced:	FNSO2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	230.108899
ΔH_f, kcal/mol:	-123.16
Dipole, Da:	2.0
IP(EA), eV:	-8.61(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-piperazin-1-ylthiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(SC1)C)NC2=CC=CC=C2F

DOS

IR

Vibrations