Geometry & MOs

Info

ID:	372330
PubChem CID:	131296274
Reduced:	FNO2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	229.077265
ΔH_f, kcal/mol:	-151.19
Dipole, Da:	2.18
IP(EA), eV:	-9.0(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(thiane-3-carbonyl)azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC(C1)(C2CCNCC2)C(=O)OC)F

DOS

IR

Vibrations